N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide

C12H12F3N3O2S — CID 31912911

IUPACN-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)17-21(19,20)11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyXHKUMKKAVCDMKB-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.72
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 31912911) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID31912911
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)17-21(19,20)11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3
InChIKeyXHKUMKKAVCDMKB-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
N-[1-(3-methylbenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582228
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582329
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 45815676
1-(4-fluorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 45821824
2-fluoro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 53597597
1-(2-{4-[m-(Trifluoromethyl)phenylsulfonyl]-1,4-diazepan-1-yl}ethyl)pyrazole
CID 71790564

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 31912911) is N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XHKUMKKAVCDMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)17-21(19,20)11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.72, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).