N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide

C11H12FN3O2S — CID 31912908

IUPACN-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-9(7-13-15)14-18(16,17)11-6-4-3-5-10(11)12/h3-8,14H,2H2,1H3
InChIKeyGTFQNUCNJLVIBL-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.84
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide

N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 31912908) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
PubChem CID31912908
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-9(7-13-15)14-18(16,17)11-6-4-3-5-10(11)12/h3-8,14H,2H2,1H3
InChIKeyGTFQNUCNJLVIBL-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 6470601
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
N-(2,4-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022074
2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3416873
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N-(2,5-difluorophenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 6626016
[(2,5-Difluorophenyl)sulfonyl][(1-methylpyrazol-4-yl)methyl]amine
CID 17376057
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582329

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide (CID 31912908) is N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccccc2F)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is GTFQNUCNJLVIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-2-15-8-9(7-13-15)14-18(16,17)11-6-4-3-5-10(11)12/h3-8,14H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 31912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).