N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide

C12H8N4O3S — CID 170949418

IUPACN-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnoc3)cccc12
InChIInChI=1S/C12H8N4O3S/c13-4-8-5-14-12-10(8)2-1-3-11(12)16-20(17,18)9-6-15-19-7-9/h1-3,5-7,14,16H
InChIKeyXGOWCYBCAQBNLJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.83
Rot. Bonds3

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

N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide (PubChem CID 170949418) has the molecular formula C12H8N4O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
PubChem CID170949418
Molecular FormulaC12H8N4O3S
Molecular Weight288.29 g/mol
Exact Mass288.03
IUPAC NameN-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnoc3)cccc12
InChIInChI=1S/C12H8N4O3S/c13-4-8-5-14-12-10(8)2-1-3-11(12)16-20(17,18)9-6-15-19-7-9/h1-3,5-7,14,16H
InChIKeyXGOWCYBCAQBNLJ-UHFFFAOYSA-N
XLogP1.83
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
CID 170949429
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
CID 171055469
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
CID 171664629
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide
CID 170949666
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
7-(furan-3-ylsulfanylamino)-1H-indole-3-carbonitrile
CID 170949441
7-[(2-oxo-1,3-dihydroimidazol-4-yl)sulfanylamino]-1H-indole-3-carbonitrile
CID 177228471
7-[[2-(fluoromethyl)-1,3-thiazol-5-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 170949823
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
7-methyl-1H-indole-3-carbonitrile
CID 34177049

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide (CID 170949418) is N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnoc3)cccc12.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide?
The InChIKey is XGOWCYBCAQBNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S/c13-4-8-5-14-12-10(8)2-1-3-11(12)16-20(17,18)9-6-15-19-7-9/h1-3,5-7,14,16H.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide has a molecular weight of 288.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 170949418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).