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

C14H12N4O2S2 — CID 171055436

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)sn1
InChIInChI=1S/C14H12N4O2S2/c1-8-3-4-11(14-13(8)10(6-15)7-16-14)18-22(19,20)12-5-9(2)17-21-12/h3-5,7,16,18H,1-2H3
InChIKeyXGHYGHSBHHABDV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.91
Rot. Bonds3

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide (PubChem CID 171055436) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
PubChem CID171055436
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)sn1
InChIInChI=1S/C14H12N4O2S2/c1-8-3-4-11(14-13(8)10(6-15)7-16-14)18-22(19,20)12-5-9(2)17-21-12/h3-5,7,16,18H,1-2H3
InChIKeyXGHYGHSBHHABDV-UHFFFAOYSA-N
XLogP2.91
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 177228426
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-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
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-nitrobenzenesulfonamide
CID 147300883
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
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)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
4-methyl-7-(methylamino)-1H-indole-3-carbonitrile
CID 139366191
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 172572416

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide (CID 171055436) is N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)sn1.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
The InChIKey is XGHYGHSBHHABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-8-3-4-11(14-13(8)10(6-15)7-16-14)18-22(19,20)12-5-9(2)17-21-12/h3-5,7,16,18H,1-2H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide has a molecular weight of 332.41 g/mol, XLogP of 2.91, 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)-3-methyl-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 171055436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).