2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide

C7H7ClF2N2O2S — CID 130074581

IUPAC2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
SMILESCc1cnc(Cl)c(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H7ClF2N2O2S/c1-3-2-12-6(8)4(7(9)10)5(3)15(11,13)14/h2,7H,1H3,(H2,11,13,14)
InChIKeyCNOATLBKBFWPCC-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.63
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide

2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide (PubChem CID 130074581) has the molecular formula C7H7ClF2N2O2S and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
PubChem CID130074581
Molecular FormulaC7H7ClF2N2O2S
Molecular Weight256.66 g/mol
Exact Mass255.99
IUPAC Name2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
SMILESCc1cnc(Cl)c(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H7ClF2N2O2S/c1-3-2-12-6(8)4(7(9)10)5(3)15(11,13)14/h2,7H,1H3,(H2,11,13,14)
InChIKeyCNOATLBKBFWPCC-UHFFFAOYSA-N
XLogP1.63
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.63
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-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
2-chloro-5-(difluoromethyl)-4-methylpyridine-3-sulfonamide
CID 119010660
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 130103132
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831
2-amino-5-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 119021143
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 130074592
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
6-chloro-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 119014799
2-amino-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118993955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide (CID 130074581) is 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide is Cc1cnc(Cl)c(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide?
The InChIKey is CNOATLBKBFWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2S/c1-3-2-12-6(8)4(7(9)10)5(3)15(11,13)14/h2,7H,1H3,(H2,11,13,14).
What are the key properties of 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide?
2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide has a molecular weight of 256.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide is sourced from PubChem (CID 130074581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).