2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C10H9F2N3O2S — CID 63823168

IUPAC2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C10H9F2N3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-5-7(11)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyGKKKSWYKZDHXAB-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.80
Rot. Bonds3

About 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 63823168) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID63823168
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC Name2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C10H9F2N3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-5-7(11)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyGKKKSWYKZDHXAB-UHFFFAOYSA-N
XLogP1.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028842
N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 129135895
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63821892

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 63823168) is 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)ccc2F)n[nH]1.
What is the InChIKey of 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is GKKKSWYKZDHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c1-6-4-10(14-13-6)15-18(16,17)9-5-7(11)2-3-8(9)12/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63823168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).