5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide

C13H12ClFN2O3S — CID 75496337

IUPAC5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCOc1cc(F)ccc1N(C)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c1-17(12-4-3-10(15)6-13(12)20-2)21(18,19)11-5-9(14)7-16-8-11/h3-8H,1-2H3
InChIKeyGNZFSZSBCVZBRD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.71
Rot. Bonds4

About 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide

5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 75496337) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide
PubChem CID75496337
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCOc1cc(F)ccc1N(C)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c1-17(12-4-3-10(15)6-13(12)20-2)21(18,19)11-5-9(14)7-16-8-11/h3-8H,1-2H3
InChIKeyGNZFSZSBCVZBRD-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
3-chloro-5-(4-fluorophenyl)sulfonylpyridine
CID 70244379
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
N-[butyl(methyl)sulfamoyl]-4-fluoro-2-methoxy-N-methylaniline
CID 75421838
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide
CID 97242229
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
CID 34207194
2-amino-5-chloro-N-(2,5-difluorophenyl)-N-methylpyridine-3-sulfonamide
CID 71967597
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide (CID 75496337) is 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide is COc1cc(F)ccc1N(C)S(=O)(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is GNZFSZSBCVZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-17(12-4-3-10(15)6-13(12)20-2)21(18,19)11-5-9(14)7-16-8-11/h3-8H,1-2H3.
What are the key properties of 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide?
5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-2-methoxyphenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 75496337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).