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

C12H10ClFN2O2S — CID 54896062

IUPAC2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-2-3-11(10(14)6-8)16-19(17,18)9-4-5-15-12(13)7-9/h2-7,16H,1H3
InChIKeyHSDKQVGKAYUTIA-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

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

2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide (PubChem CID 54896062) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
PubChem CID54896062
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-2-3-11(10(14)6-8)16-19(17,18)9-4-5-15-12(13)7-9/h2-7,16H,1H3
InChIKeyHSDKQVGKAYUTIA-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-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
2-chloro-N-(2,3-difluorophenyl)pyridine-4-sulfonamide
CID 61076644
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
N-(2-bromo-4-fluorophenyl)-2-chloropyridine-4-sulfonamide
CID 54895435
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
3-(aminomethyl)-4-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 106031091
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143380
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide (CID 54896062) is 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is HSDKQVGKAYUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-2-3-11(10(14)6-8)16-19(17,18)9-4-5-15-12(13)7-9/h2-7,16H,1H3.
What are the key properties of 2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide?
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-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-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 54896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).