N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C14H10F3N5O2S — CID 155708719

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(F)F)c3)ccc(F)c12
InChIInChI=1S/C14H10F3N5O2S/c15-10-1-2-11(14-13(10)8(3-18)4-19-14)21-25(23,24)9-5-20-22(6-9)7-12(16)17/h1-2,4-6,12,19,21H,7H2
InChIKeyNSBUYZHTHXBGNT-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.44
Rot. Bonds5

About N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 155708719) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID155708719
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(F)F)c3)ccc(F)c12
InChIInChI=1S/C14H10F3N5O2S/c15-10-1-2-11(14-13(10)8(3-18)4-19-14)21-25(23,24)9-5-20-22(6-9)7-12(16)17/h1-2,4-6,12,19,21H,7H2
InChIKeyNSBUYZHTHXBGNT-UHFFFAOYSA-N
XLogP2.44
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 155708719) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnn(CC(F)F)c3)ccc(F)c12.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is NSBUYZHTHXBGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-10-1-2-11(14-13(10)8(3-18)4-19-14)21-25(23,24)9-5-20-22(6-9)7-12(16)17/h1-2,4-6,12,19,21H,7H2.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155708719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).