2-(benzenesulfonyl)-6-chloroaniline

C12H10ClNO2S — CID 22766719

IUPAC2-(benzenesulfonyl)-6-chloroaniline
SMILESNc1c(Cl)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,14H2
InChIKeyYRNWSCCHURXPAD-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.76
Rot. Bonds2

About 2-(benzenesulfonyl)-6-chloroaniline

2-(benzenesulfonyl)-6-chloroaniline (PubChem CID 22766719) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6-chloroaniline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6-chloroaniline
PubChem CID22766719
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-(benzenesulfonyl)-6-chloroaniline
SMILESNc1c(Cl)cccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,14H2
InChIKeyYRNWSCCHURXPAD-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-(benzenesulfonyl)-6-chloroaniline 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-(benzenesulfonyl)-6-chloroaniline?
The IUPAC name of 2-(benzenesulfonyl)-6-chloroaniline (CID 22766719) is 2-(benzenesulfonyl)-6-chloroaniline.
What is the SMILES notation for 2-(benzenesulfonyl)-6-chloroaniline?
The canonical SMILES for 2-(benzenesulfonyl)-6-chloroaniline is Nc1c(Cl)cccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-6-chloroaniline?
The InChIKey is YRNWSCCHURXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,14H2.
What are the key properties of 2-(benzenesulfonyl)-6-chloroaniline?
2-(benzenesulfonyl)-6-chloroaniline 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-(benzenesulfonyl)-6-chloroaniline is sourced from PubChem (CID 22766719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).