6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide

C12H10ClFN2O2S — CID 47310666

IUPAC6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H10ClFN2O2S/c1-16(10-4-2-9(14)3-5-10)19(17,18)11-6-7-12(13)15-8-11/h2-8H,1H3
InChIKeyMGESQRYSLFDXNT-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.70
Rot. Bonds3

About 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide

6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 47310666) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
PubChem CID47310666
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H10ClFN2O2S/c1-16(10-4-2-9(14)3-5-10)19(17,18)11-6-7-12(13)15-8-11/h2-8H,1H3
InChIKeyMGESQRYSLFDXNT-UHFFFAOYSA-N
XLogP2.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157505
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
6-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391554
6-chloropyridine-3-sulfonyl fluoride
CID 105449565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide (CID 47310666) is 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is MGESQRYSLFDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-16(10-4-2-9(14)3-5-10)19(17,18)11-6-7-12(13)15-8-11/h2-8H,1H3.
What are the key properties of 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide?
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 47310666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).