2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide

C12H10ClFN2O2S — CID 62811983

IUPAC2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1F
InChIInChI=1S/C12H10ClFN2O2S/c1-8-7-9(4-5-10(8)14)16-19(17,18)11-3-2-6-15-12(11)13/h2-7,16H,1H3
InChIKeyBDKFLDCDOWYYRB-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide

2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide (PubChem CID 62811983) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
PubChem CID62811983
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1F
InChIInChI=1S/C12H10ClFN2O2S/c1-8-7-9(4-5-10(8)14)16-19(17,18)11-3-2-6-15-12(11)13/h2-7,16H,1H3
InChIKeyBDKFLDCDOWYYRB-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.98
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-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62814206
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
CID 24621317
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
CID 24621363
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70139614
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide (CID 62811983) is 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1F.
What is the InChIKey of 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is BDKFLDCDOWYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-7-9(4-5-10(8)14)16-19(17,18)11-3-2-6-15-12(11)13/h2-7,16H,1H3.
What are the key properties of 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62811983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).