2-(4-chlorophenyl)sulfonylaniline

C12H10ClNO2S — CID 19768137

IUPAC2-(4-chlorophenyl)sulfonylaniline
SMILESNc1ccccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,14H2
InChIKeyAAIPVYXYLKEXLC-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonylaniline

2-(4-chlorophenyl)sulfonylaniline (PubChem CID 19768137) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonylaniline.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonylaniline
PubChem CID19768137
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-(4-chlorophenyl)sulfonylaniline
SMILESNc1ccccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,14H2
InChIKeyAAIPVYXYLKEXLC-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfonylaniline 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 2-(4-chlorophenyl)sulfonylaniline?
The IUPAC name of 2-(4-chlorophenyl)sulfonylaniline (CID 19768137) is 2-(4-chlorophenyl)sulfonylaniline.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonylaniline?
The canonical SMILES for 2-(4-chlorophenyl)sulfonylaniline is Nc1ccccc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonylaniline?
The InChIKey is AAIPVYXYLKEXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,14H2.
What are the key properties of 2-(4-chlorophenyl)sulfonylaniline?
2-(4-chlorophenyl)sulfonylaniline has a molecular weight of 267.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonylaniline is sourced from PubChem (CID 19768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).