N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide

C14H9F3N4O2S2 — CID 171055440

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(F)(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H9F3N4O2S2/c1-7-2-3-9(12-11(7)8(4-18)5-19-12)21-25(22,23)10-6-20-13(24-10)14(15,16)17/h2-3,5-6,19,21H,1H3
InChIKeyXBKLRZRKRFCLHR-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.62
Rot. Bonds3

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 171055440) has the molecular formula C14H9F3N4O2S2 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID171055440
Molecular FormulaC14H9F3N4O2S2
Molecular Weight386.38 g/mol
Exact Mass386.01
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(F)(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H9F3N4O2S2/c1-7-2-3-9(12-11(7)8(4-18)5-19-12)21-25(22,23)10-6-20-13(24-10)14(15,16)17/h2-3,5-6,19,21H,1H3
InChIKeyXBKLRZRKRFCLHR-UHFFFAOYSA-N
XLogP3.62
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.62
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-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide (CID 171055440) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C(F)(F)F)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XBKLRZRKRFCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2S2/c1-7-2-3-9(12-11(7)8(4-18)5-19-12)21-25(22,23)10-6-20-13(24-10)14(15,16)17/h2-3,5-6,19,21H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 386.38 g/mol, XLogP of 3.62, 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-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).