4-amino-N-(3-chlorophenyl)benzenesulfonamide

C12H11ClN2O2S — CID 2357660

IUPAC4-amino-N-(3-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2
InChIKeyZVOMLEQGMOLOEM-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-N-(3-chlorophenyl)benzenesulfonamide

4-amino-N-(3-chlorophenyl)benzenesulfonamide (PubChem CID 2357660) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)benzenesulfonamide
PubChem CID2357660
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-amino-N-(3-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H11ClN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2
InChIKeyZVOMLEQGMOLOEM-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)benzenesulfonamide (CID 2357660) is 4-amino-N-(3-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)benzenesulfonamide?
The InChIKey is ZVOMLEQGMOLOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-2-1-3-11(8-9)15-18(16,17)12-6-4-10(14)5-7-12/h1-8,15H,14H2.
What are the key properties of 4-amino-N-(3-chlorophenyl)benzenesulfonamide?
4-amino-N-(3-chlorophenyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 2357660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).