1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide

C11H10F3N3O2S — CID 79001292

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-3-1-2-8(4-9)6-17-7-10(5-16-17)20(15,18)19/h1-5,7H,6H2,(H2,15,18,19)
InChIKeyPKLVEFKOPFEYKS-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.60
Rot. Bonds3

About 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide

1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 79001292) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID79001292
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-3-1-2-8(4-9)6-17-7-10(5-16-17)20(15,18)19/h1-5,7H,6H2,(H2,15,18,19)
InChIKeyPKLVEFKOPFEYKS-UHFFFAOYSA-N
XLogP1.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
1-[(4-chloro-3-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 107889713
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-one
CID 62728193
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiophene-2-sulfonamide
CID 4776109
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 62731966
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
CID 70262336
CID 70262336
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide (CID 79001292) is 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is PKLVEFKOPFEYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)9-3-1-2-8(4-9)6-17-7-10(5-16-17)20(15,18)19/h1-5,7H,6H2,(H2,15,18,19).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide?
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79001292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).