4-(4-amino-2-chlorophenyl)benzenesulfonamide

C12H11ClN2O2S — CID 110453859

IUPAC4-(4-amino-2-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c13-12-7-9(14)3-6-11(12)8-1-4-10(5-2-8)18(15,16)17/h1-7H,14H2,(H2,15,16,17)
InChIKeySEELXMHXCHIKNJ-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.24
Rot. Bonds2

About 4-(4-amino-2-chlorophenyl)benzenesulfonamide

4-(4-amino-2-chlorophenyl)benzenesulfonamide (PubChem CID 110453859) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenyl)benzenesulfonamide
PubChem CID110453859
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name4-(4-amino-2-chlorophenyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c13-12-7-9(14)3-6-11(12)8-1-4-10(5-2-8)18(15,16)17/h1-7H,14H2,(H2,15,16,17)
InChIKeySEELXMHXCHIKNJ-UHFFFAOYSA-N
XLogP2.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-chlorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(4-amino-2-chlorophenyl)benzenesulfonamide (CID 110453859) is 4-(4-amino-2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-amino-2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-amino-2-chlorophenyl)benzenesulfonamide is Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chlorophenyl)benzenesulfonamide?
The InChIKey is SEELXMHXCHIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-12-7-9(14)3-6-11(12)8-1-4-10(5-2-8)18(15,16)17/h1-7H,14H2,(H2,15,16,17).
What are the key properties of 4-(4-amino-2-chlorophenyl)benzenesulfonamide?
4-(4-amino-2-chlorophenyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 110453859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).