3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

C14H14F3N3O3S — CID 90588711

IUPAC3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H14F3N3O3S/c1-10(21)11-3-2-4-12(9-11)24(22,23)18-6-8-20-7-5-13(19-20)14(15,16)17/h2-5,7,9,18H,6,8H2,1H3
InChIKeyJBDNVSPIHALNDG-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.08
Rot. Bonds6

About 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90588711) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90588711
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H14F3N3O3S/c1-10(21)11-3-2-4-12(9-11)24(22,23)18-6-8-20-7-5-13(19-20)14(15,16)17/h2-5,7,9,18H,6,8H2,1H3
InChIKeyJBDNVSPIHALNDG-UHFFFAOYSA-N
XLogP2.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3862719
3-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124895
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
N-cyclopropyl-4-({[1-(1-methyl-1H-pyrazol-5-yl)propyl]amino}sulfonyl)benzamide
CID 70767134
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808045
4-acetyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 71808066
5-(aminosulfonyl)-N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-fluorobenzamide
CID 72886001
1-(3-((4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)sulfonyl)phenyl)ethanone
CID 71781202
1-(3-((4-(2-(1H-pyrazol-1-yl)ethyl)-1,4-diazepan-1-yl)sulfonyl)phenyl)ethanone hydrochloride
CID 71790559
2-Fluoro-N-{1-[(2-fluorophenyl)methyl]pyrazol-4-YL}-5-(methylsulfamoyl)benzamide
CID 46978236
1-(3-((4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)piperazin-1-yl)sulfonyl)phenyl)ethanone
CID 71783872
3-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)sulfonyl]-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 72879691

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90588711) is 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is JBDNVSPIHALNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-10(21)11-3-2-4-12(9-11)24(22,23)18-6-8-20-7-5-13(19-20)14(15,16)17/h2-5,7,9,18H,6,8H2,1H3.
What are the key properties of 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 361.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90588711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).