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

C12H8N4O3S2 — CID 171055447

IUPACN-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3c[nH]c(=O)s3)cccc12
InChIInChI=1S/C12H8N4O3S2/c13-4-7-5-14-11-8(7)2-1-3-9(11)16-21(18,19)10-6-15-12(17)20-10/h1-3,5-6,14,16H,(H,15,17)
InChIKeyWGCJMZINZUXUME-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.59
Rot. Bonds3

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

N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 171055447) has the molecular formula C12H8N4O3S2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID171055447
Molecular FormulaC12H8N4O3S2
Molecular Weight320.36 g/mol
Exact Mass320.00
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3c[nH]c(=O)s3)cccc12
InChIInChI=1S/C12H8N4O3S2/c13-4-7-5-14-11-8(7)2-1-3-9(11)16-21(18,19)10-6-15-12(17)20-10/h1-3,5-6,14,16H,(H,15,17)
InChIKeyWGCJMZINZUXUME-UHFFFAOYSA-N
XLogP1.59
TPSA118.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

E 7820
CID 196970
n-(1h-Indol-7-yl)methanesulfonamide
CID 20231824
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
CID 126455840
N-(3-cyano-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306638
N-[3-(4-fluorophenyl)-1H-indol-7-yl]methanesulfonamide
CID 122186749
N-[3-(3-phenylpentan-3-yl)-1H-indol-7-yl]methanesulfonamide
CID 58731199
7-amino-4-methyl-1H-indole-3-carbonitrile
CID 11715247
4-Cyano-N-1H-indol-7-ylbenzenesulfonamide
CID 10494228
Desmethyl-E7820
CID 10591911
4-cyano-N-(3-cyano-1H-indol-7-yl)benzenesulfonamide
CID 10639558
3-cyano-N-(3-cyano-4-fluoro-1H-indol-7-yl)benzenesulfonamide
CID 139366201

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 171055447) is N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3c[nH]c(=O)s3)cccc12.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is WGCJMZINZUXUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S2/c13-4-7-5-14-11-8(7)2-1-3-9(11)16-21(18,19)10-6-15-12(17)20-10/h1-3,5-6,14,16H,(H,15,17).
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 320.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).