2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide

C12H10Cl2N2O2S — CID 54895530

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-10(13)3-2-4-11(8)16-19(17,18)9-5-6-15-12(14)7-9/h2-7,16H,1H3
InChIKeyBTKSRHZRHGRLDQ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide

2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide (PubChem CID 54895530) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
PubChem CID54895530
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-10(13)3-2-4-11(8)16-19(17,18)9-5-6-15-12(14)7-9/h2-7,16H,1H3
InChIKeyBTKSRHZRHGRLDQ-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,3-difluorophenyl)pyridine-4-sulfonamide
CID 61076644
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596
N-(3-chloro-2-methylphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760025
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide (CID 54895530) is 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is BTKSRHZRHGRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-8-10(13)3-2-4-11(8)16-19(17,18)9-5-6-15-12(14)7-9/h2-7,16H,1H3.
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide?
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide has a molecular weight of 317.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 54895530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).