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

C14H9F3N4O2S2 — CID 171055438

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2nc(C(F)(F)F)cs2)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)13-20-10(6-24-13)14(15,16)17/h2-3,5-6,19,21H,1H3
InChIKeyYYJLWJXVIQGLNW-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.62
Rot. Bonds3

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (PubChem CID 171055438) 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)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
PubChem CID171055438
Molecular FormulaC14H9F3N4O2S2
Molecular Weight386.38 g/mol
Exact Mass386.01
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2nc(C(F)(F)F)cs2)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)13-20-10(6-24-13)14(15,16)17/h2-3,5-6,19,21H,1H3
InChIKeyYYJLWJXVIQGLNW-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

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

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Related Compounds

6-(3-cyano-5-fluoro-6-methyl-1-thiazol-5-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733643
N-[3-(1-Benzothiazol-6-yl-1-ethyl-propyl)-1H-indol-7-yl]-methanesulfonamide
CID 58731243
N-(3-chloro-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 170949454
4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
CID 170949579
N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949689
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949693
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949699
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055440
N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 171055512
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664603
N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171664605
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
CID 171664610

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide (CID 171055438) is N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2nc(C(F)(F)F)cs2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is YYJLWJXVIQGLNW-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)13-20-10(6-24-13)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)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-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)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171055438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).