6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide

C12H7Cl2N3O2S — CID 43236398

IUPAC6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1Cl
InChIInChI=1S/C12H7Cl2N3O2S/c13-11-5-9(2-1-8(11)6-15)17-20(18,19)10-3-4-12(14)16-7-10/h1-5,7,17H
InChIKeyNBQJQBNROVKIIH-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.06
Rot. Bonds3

About 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide

6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide (PubChem CID 43236398) has the molecular formula C12H7Cl2N3O2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
PubChem CID43236398
Molecular FormulaC12H7Cl2N3O2S
Molecular Weight328.18 g/mol
Exact Mass326.96
IUPAC Name6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1Cl
InChIInChI=1S/C12H7Cl2N3O2S/c13-11-5-9(2-1-8(11)6-15)17-20(18,19)10-3-4-12(14)16-7-10/h1-5,7,17H
InChIKeyNBQJQBNROVKIIH-UHFFFAOYSA-N
XLogP3.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
N-(3-chloro-4-cyanophenyl)-1H-pyrazole-4-sulfonamide
CID 54937392
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-chloro-N-(3-ethynylphenyl)pyridine-3-sulfonamide
CID 24689721
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide (CID 43236398) is 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide?
The InChIKey is NBQJQBNROVKIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2S/c13-11-5-9(2-1-8(11)6-15)17-20(18,19)10-3-4-12(14)16-7-10/h1-5,7,17H.
What are the key properties of 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide?
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide has a molecular weight of 328.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 43236398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).