Basic information
- CAS
35880-91-2- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(N)cc2N)cc1- InChIKey
UCVSVYPOQJMLCD-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- 4-(4-Aminophenyl)sulfonylbenzene-1,3-diamine
- IUPAC
- 4-(4-aminophenyl)sulfonylbenzene-1,3-diamine
- English name
- 4-[(4-Aminophenyl)sulfonyl]-1,3-benzenediamine
- Molecular formula
- C12H13N3O2S
- Molecular weight
- 263.32
Names & synonyms
4-(4-aminophenyl)sulfonylbenzene-1,3-diamine35880-91-24-[(4-Aminophenyl)sulfonyl]-1,3-benzenediamineCHEMBL804854-Sulfanilyl-m-phenylenediamineSCHEMBL1703357DTXSID103325814-(4-Aminobenzene-1-sulfonyl)benzene-1,3-diamine4-[(2,4-Diaminophenyl)sulfonyl]aniline1,3-Benzenediamine, 4-[(4-aminophenyl)sulfonyl]-
Database identifiers
- CAS
35880-91-2- PubChem CID
- 458944
- DTXSID
DTXSID10332581- ChEMBL
CHEMBL80485- Nikkaji
- J409.590A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
LogP0.38
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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