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

C15H12F2N4O2S2 — CID 170949375

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(C)(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H12F2N4O2S2/c1-8-3-4-10(13-12(8)9(5-18)6-19-13)21-25(22,23)11-7-20-14(24-11)15(2,16)17/h3-4,6-7,19,21H,1-2H3
InChIKeyIWSVXXJHCBGMLS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.72
Rot. Bonds4

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 170949375) has the molecular formula C15H12F2N4O2S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID170949375
Molecular FormulaC15H12F2N4O2S2
Molecular Weight382.42 g/mol
Exact Mass382.04
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C(C)(F)F)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C15H12F2N4O2S2/c1-8-3-4-10(13-12(8)9(5-18)6-19-13)21-25(22,23)11-7-20-14(24-11)15(2,16)17/h3-4,6-7,19,21H,1-2H3
InChIKeyIWSVXXJHCBGMLS-UHFFFAOYSA-N
XLogP3.72
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
CID 177318952
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 172572416
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
CID 172572602
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
CID 171055469
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(4-methylpiperazine-1-carbonyl)-1,3-thiazole-2-sulfonamide
CID 170949383
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide (CID 170949375) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C(C)(F)F)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IWSVXXJHCBGMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2S2/c1-8-3-4-10(13-12(8)9(5-18)6-19-13)21-25(22,23)11-7-20-14(24-11)15(2,16)17/h3-4,6-7,19,21H,1-2H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 382.42 g/mol, XLogP of 3.72, 4 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-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170949375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).