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

C14H14F3N3O3S — CID 71808066

IUPAC4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-10(21)11-2-4-12(5-3-11)24(22,23)18-7-9-20-8-6-13(19-20)14(15,16)17/h2-6,8,18H,7,9H2,1H3
InChIKeyIKMRSOPBMPBTQX-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.08
Rot. Bonds6

About 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 71808066) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID71808066
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-10(21)11-2-4-12(5-3-11)24(22,23)18-7-9-20-8-6-13(19-20)14(15,16)17/h2-6,8,18H,7,9H2,1H3
InChIKeyIKMRSOPBMPBTQX-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
1-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 16738571
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
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
3-(difluoromethyl)-1-methyl-N-(p-tolylsulfinyl)-1H-pyrazole-4-carboxamide
CID 171661698
4-(aminosulfonyl)-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 28390847
4-(N,N-dimethylsulfamoyl)-N-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)benzamide
CID 71797644
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71807952
4-(morpholinosulfonyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808051
4-[(1-methylpyrazol-4-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25073176

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 71808066) is 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is IKMRSOPBMPBTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-10(21)11-2-4-12(5-3-11)24(22,23)18-7-9-20-8-6-13(19-20)14(15,16)17/h2-6,8,18H,7,9H2,1H3.
What are the key properties of 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
4-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 4-acetyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71808066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).