N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide

C11H11F2N3O2S — CID 25039958

IUPACN-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-11(5-6-14-16)15-19(17,18)8-3-4-9(12)10(13)7-8/h3-7,15H,2H2,1H3
InChIKeyGJMSTUJDRXBIID-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.98
Rot. Bonds4

About N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide

N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 25039958) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
PubChem CID25039958
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2S/c1-2-16-11(5-6-14-16)15-19(17,18)8-3-4-9(12)10(13)7-8/h3-7,15H,2H2,1H3
InChIKeyGJMSTUJDRXBIID-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271
3,4-difluoro-N-[2-(6-methylpyridazin-3-yl)pyrazol-3-yl]benzenesulfonamide
CID 166225138
N-[2-(2-methylpropyl)pyrazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86883306
3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683362
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
N-(2-methylpyrazol-3-yl)-4-(propylamino)benzenesulfonamide
CID 62157548
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 71993047

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide (CID 25039958) is N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide is CCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is GJMSTUJDRXBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-2-16-11(5-6-14-16)15-19(17,18)8-3-4-9(12)10(13)7-8/h3-7,15H,2H2,1H3.
What are the key properties of N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide?
N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 25039958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).