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

C13H6F4N4O2S2 — CID 171664657

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nc(C(F)(F)F)cs3)ccc(F)c12
InChIInChI=1S/C13H6F4N4O2S2/c14-7-1-2-8(11-10(7)6(3-18)4-19-11)21-25(22,23)12-20-9(5-24-12)13(15,16)17/h1-2,4-5,19,21H
InChIKeyLVSUCLBPJFDCTC-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.45
Rot. Bonds3

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

N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (PubChem CID 171664657) has the molecular formula C13H6F4N4O2S2 and a molecular weight of 390.34 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
PubChem CID171664657
Molecular FormulaC13H6F4N4O2S2
Molecular Weight390.34 g/mol
Exact Mass389.99
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nc(C(F)(F)F)cs3)ccc(F)c12
InChIInChI=1S/C13H6F4N4O2S2/c14-7-1-2-8(11-10(7)6(3-18)4-19-11)21-25(22,23)12-20-9(5-24-12)13(15,16)17/h1-2,4-5,19,21H
InChIKeyLVSUCLBPJFDCTC-UHFFFAOYSA-N
XLogP3.45
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.45
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)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (CID 171664657) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3nc(C(F)(F)F)cs3)ccc(F)c12.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is LVSUCLBPJFDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N4O2S2/c14-7-1-2-8(11-10(7)6(3-18)4-19-11)21-25(22,23)12-20-9(5-24-12)13(15,16)17/h1-2,4-5,19,21H.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 390.34 g/mol, XLogP of 3.45, 3 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)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171664657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).