2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

C12H13F2N3O2S — CID 115686449

IUPAC2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1
InChIInChI=1S/C12H13F2N3O2S/c1-7(2)10-6-11(16-15-10)17-20(18,19)12-8(13)4-3-5-9(12)14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyHFPKESYXSIAGNC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.61
Rot. Bonds4

About 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide

2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 115686449) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID115686449
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1
InChIInChI=1S/C12H13F2N3O2S/c1-7(2)10-6-11(16-15-10)17-20(18,19)12-8(13)4-3-5-9(12)14/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyHFPKESYXSIAGNC-UHFFFAOYSA-N
XLogP2.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686443
4-bromo-3-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 103761318
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64526713
5-amino-2,4-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616943
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 104619455
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
1-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621218
1-cyano-N-(5-propan-2-yl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620764
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525
5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 75512964

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 115686449) is 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is CC(C)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1.
What is the InChIKey of 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is HFPKESYXSIAGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-7(2)10-6-11(16-15-10)17-20(18,19)12-8(13)4-3-5-9(12)14/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide?
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 301.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 115686449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).