3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide

C12H12ClN3O2S — CID 3766596

IUPAC3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N
InChIInChI=1S/C12H12ClN3O2S/c13-9-3-1-2-4-12(9)16-19(17,18)8-5-6-10(14)11(15)7-8/h1-7,16H,14-15H2
InChIKeyAOGHWVVQPRDCSU-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.31
Rot. Bonds3

About 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide

3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide (PubChem CID 3766596) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide
PubChem CID3766596
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N
InChIInChI=1S/C12H12ClN3O2S/c13-9-3-1-2-4-12(9)16-19(17,18)8-5-6-10(14)11(15)7-8/h1-7,16H,14-15H2
InChIKeyAOGHWVVQPRDCSU-UHFFFAOYSA-N
XLogP2.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide (CID 3766596) is 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N.
What is the InChIKey of 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide?
The InChIKey is AOGHWVVQPRDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-9-3-1-2-4-12(9)16-19(17,18)8-5-6-10(14)11(15)7-8/h1-7,16H,14-15H2.
What are the key properties of 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide?
3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 3766596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).