structural formula
| business number | 03l4 |
|---|---|
| molecular formula | c13h12n2o3s |
| molecular weight | 276.31 |
| label |
n-[(4-aminobenzene)sulfonyl]phenoxamine, phenylsulfonamide, benzoyl sulfonamide, sulfabenzoyl, n-(4-aminobenzenesulfonyl)benzamide, heterocyclic compounds |
numbering system
cas number:127-71-9
mdl number:mfcd00044890
einecs number:204-859-4
rtecs number:cv5802500
brn number:2139003
pubchem number:24899854
physical property data
1. melting point (℃):180-184
2. water-soluble (g/l,20 ºc): 0.3
toxicological data
1, acute toxicity: mice intravenously injected ld5o：320mg/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 72.29
2. molar volume (m3/mol）：201.7
3. isotonic specific volume (90.2k):558.5
4. surface tension (dyne/cm):58.7
5. polarizability（10-24cm3):28.66
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 97.6
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 402
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
pan> polarizability（10-24cm3): 28.66
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: 2
6. topological molecule polar surface area 97.6
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 402
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
