3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C17H11F3N4O2S — CID 8844377

IUPAC3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)13-5-6-16(24-8-2-7-22-24)15(10-13)23-27(25,26)14-4-1-3-12(9-14)11-21/h1-10,23H
InChIKeyLIUCUELZFCMYRP-UHFFFAOYSA-N
MW392.36 g/mol
LogP3.56
Rot. Bonds4

About 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 8844377) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID8844377
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC Name3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)13-5-6-16(24-8-2-7-22-24)15(10-13)23-27(25,26)14-4-1-3-12(9-14)11-21/h1-10,23H
InChIKeyLIUCUELZFCMYRP-UHFFFAOYSA-N
XLogP3.56
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
2-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339501
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3780778
N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121072899
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 47066381

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 8844377) is 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1.
What is the InChIKey of 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is LIUCUELZFCMYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-5-6-16(24-8-2-7-22-24)15(10-13)23-27(25,26)14-4-1-3-12(9-14)11-21/h1-10,23H.
What are the key properties of 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 392.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8844377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).