N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide

C12H9F3N2O2S — CID 103585478

IUPACN-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ncccc2F)cc1F
InChIInChI=1S/C12H9F3N2O2S/c1-7-5-10(15)11(6-9(7)14)17-20(18,19)12-8(13)3-2-4-16-12/h2-6,17H,1H3
InChIKeyCCTRBZVWVRFNDB-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.61
Rot. Bonds3

About N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide

N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103585478) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103585478
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)c2ncccc2F)cc1F
InChIInChI=1S/C12H9F3N2O2S/c1-7-5-10(15)11(6-9(7)14)17-20(18,19)12-8(13)3-2-4-16-12/h2-6,17H,1H3
InChIKeyCCTRBZVWVRFNDB-UHFFFAOYSA-N
XLogP2.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103298579
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
2-amino-N-(2,5-difluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 103584410
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
N-(4-ethoxy-2-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299321
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103585478) is N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide is Cc1cc(F)c(NS(=O)(=O)c2ncccc2F)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is CCTRBZVWVRFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-7-5-10(15)11(6-9(7)14)17-20(18,19)12-8(13)3-2-4-16-12/h2-6,17H,1H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 302.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103585478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).