2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide

C12H9ClF2N2O2S — CID 82819125

IUPAC2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccnc(Cl)c2)c1F
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-2-3-9(14)12(11(7)15)17-20(18,19)8-4-5-16-10(13)6-8/h2-6,17H,1H3
InChIKeyMJPJIBWDAXVNDZ-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.12
Rot. Bonds3

About 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide

2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide (PubChem CID 82819125) 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-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
PubChem CID82819125
Molecular FormulaC12H9ClF2N2O2S
Molecular Weight318.73 g/mol
Exact Mass318.00
IUPAC Name2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2ccnc(Cl)c2)c1F
InChIInChI=1S/C12H9ClF2N2O2S/c1-7-2-3-9(14)12(11(7)15)17-20(18,19)8-4-5-16-10(13)6-8/h2-6,17H,1H3
InChIKeyMJPJIBWDAXVNDZ-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

2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121
2-chloro-N-(2,3-difluorophenyl)pyridine-4-sulfonamide
CID 61076644
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide (CID 82819125) is 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2ccnc(Cl)c2)c1F.
What is the InChIKey of 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is MJPJIBWDAXVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O2S/c1-7-2-3-9(14)12(11(7)15)17-20(18,19)8-4-5-16-10(13)6-8/h2-6,17H,1H3.
What are the key properties of 2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide?
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide 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-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 82819125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).