N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C17H12F3N5O2S — CID 31913927

IUPACN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C17H12F3N5O2S/c18-17(19,20)12-5-1-4-8-15(12)28(26,27)24-13-6-2-3-7-14(13)25-16(22)11(9-21)10-23-25/h1-8,10,24H,22H2
InChIKeyWOXHAZHOHDJMAU-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 31913927) has the molecular formula C17H12F3N5O2S and a molecular weight of 407.38 g/mol. Its IUPAC name is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID31913927
Molecular FormulaC17H12F3N5O2S
Molecular Weight407.38 g/mol
Exact Mass407.07
IUPAC NameN-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C17H12F3N5O2S/c18-17(19,20)12-5-1-4-8-15(12)28(26,27)24-13-6-2-3-7-14(13)25-16(22)11(9-21)10-23-25/h1-8,10,24H,22H2
InChIKeyWOXHAZHOHDJMAU-UHFFFAOYSA-N
XLogP3.15
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 31913927) is N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is N#Cc1cnn(-c2ccccc2NS(=O)(=O)c2ccccc2C(F)(F)F)c1N.
What is the InChIKey of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WOXHAZHOHDJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2S/c18-17(19,20)12-5-1-4-8-15(12)28(26,27)24-13-6-2-3-7-14(13)25-16(22)11(9-21)10-23-25/h1-8,10,24H,22H2.
What are the key properties of N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 407.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 31913927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).