2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide

C12H9ClF2N2O2S — CID 103098259

IUPAC2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)nc2F)c(Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-2-4-10(8(13)6-7)20(18,19)17-9-3-5-11(14)16-12(9)15/h2-6,17H,1H3
InChIKeySMUCKNIMPYNFED-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide

2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 103098259) has the molecular formula C12H9ClF2N2O2S and a molecular weight of 318.73 g/mol. Its IUPAC name is 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID103098259
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)nc2F)c(Cl)c1
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-2-4-10(8(13)6-7)20(18,19)17-9-3-5-11(14)16-12(9)15/h2-6,17H,1H3
InChIKeySMUCKNIMPYNFED-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.12
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

N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide (CID 103098259) is 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)nc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is SMUCKNIMPYNFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c1-7-2-4-10(8(13)6-7)20(18,19)17-9-3-5-11(14)16-12(9)15/h2-6,17H,1H3.
What are the key properties of 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide?
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 318.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 103098259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).