N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide

C13H7F3N4O2S2 — CID 171664611

IUPACN-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)(F)F)n3)cccc12
InChIInChI=1S/C13H7F3N4O2S2/c14-13(15,16)12-19-10(6-23-12)24(21,22)20-9-3-1-2-8-7(4-17)5-18-11(8)9/h1-3,5-6,18,20H
InChIKeyJMMABQBDZILPCY-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.32
Rot. Bonds3

About N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide

N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide (PubChem CID 171664611) has the molecular formula C13H7F3N4O2S2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
PubChem CID171664611
Molecular FormulaC13H7F3N4O2S2
Molecular Weight372.35 g/mol
Exact Mass372.00
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)(F)F)n3)cccc12
InChIInChI=1S/C13H7F3N4O2S2/c14-13(15,16)12-19-10(6-23-12)24(21,22)20-9-3-1-2-8-7(4-17)5-18-11(8)9/h1-3,5-6,18,20H
InChIKeyJMMABQBDZILPCY-UHFFFAOYSA-N
XLogP3.32
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide (CID 171664611) is N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)(F)F)n3)cccc12.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide?
The InChIKey is JMMABQBDZILPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2S2/c14-13(15,16)12-19-10(6-23-12)24(21,22)20-9-3-1-2-8-7(4-17)5-18-11(8)9/h1-3,5-6,18,20H.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide has a molecular weight of 372.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 171664611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).