4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide

C17H12ClF2N3O2S — CID 113023175

IUPAC4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF2N3O2S/c18-11-4-7-13(8-5-11)26(24,25)23-12-6-9-16(21-10-12)22-17-14(19)2-1-3-15(17)20/h1-10,23H,(H,21,22)
InChIKeyIURWAISFOQSNFY-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.56
Rot. Bonds5

About 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide

4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113023175) has the molecular formula C17H12ClF2N3O2S and a molecular weight of 395.82 g/mol. Its IUPAC name is 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113023175
Molecular FormulaC17H12ClF2N3O2S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF2N3O2S/c18-11-4-7-13(8-5-11)26(24,25)23-12-6-9-16(21-10-12)22-17-14(19)2-1-3-15(17)20/h1-10,23H,(H,21,22)
InChIKeyIURWAISFOQSNFY-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[6-(2,6-difluoroanilino)-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

Related Compounds

N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
5-(benzenesulfonyl)-N-(2,6-difluorophenyl)pyridin-2-amine
CID 58961246
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-(2,6-difluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28974793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide (CID 113023175) is 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is IURWAISFOQSNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2S/c18-11-4-7-13(8-5-11)26(24,25)23-12-6-9-16(21-10-12)22-17-14(19)2-1-3-15(17)20/h1-10,23H,(H,21,22).
What are the key properties of 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide?
4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 395.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113023175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).