N-(2-chloro-3-pyridinyl)benzenesulfonamide

C11H9ClN2O2S — CID 737321

IUPACN-(2-chloro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S/c12-11-10(7-4-8-13-11)14-17(15,16)9-5-2-1-3-6-9/h1-8,14H
InChIKeyYWIHZYXECGNFTQ-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.54
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)benzenesulfonamide

N-(2-chloro-3-pyridinyl)benzenesulfonamide (PubChem CID 737321) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)benzenesulfonamide
PubChem CID737321
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC NameN-(2-chloro-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S/c12-11-10(7-4-8-13-11)14-17(15,16)9-5-2-1-3-6-9/h1-8,14H
InChIKeyYWIHZYXECGNFTQ-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-pyridinyl)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 N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)benzenesulfonamide (CID 737321) is N-(2-chloro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)benzenesulfonamide?
The InChIKey is YWIHZYXECGNFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-11-10(7-4-8-13-11)14-17(15,16)9-5-2-1-3-6-9/h1-8,14H.
What are the key properties of N-(2-chloro-3-pyridinyl)benzenesulfonamide?
N-(2-chloro-3-pyridinyl)benzenesulfonamide has a molecular weight of 268.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 737321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).