N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide

C14H12N4O3S — CID 170949429

IUPACN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)o1
InChIInChI=1S/C14H12N4O3S/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3
InChIKeyZLPWUPBFSZCKMO-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.39
Rot. Bonds4

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

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide (PubChem CID 170949429) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
PubChem CID170949429
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)o1
InChIInChI=1S/C14H12N4O3S/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3
InChIKeyZLPWUPBFSZCKMO-UHFFFAOYSA-N
XLogP2.39
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide (CID 170949429) is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide is CCc1ncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)o1.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide?
The InChIKey is ZLPWUPBFSZCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-2-12-16-8-13(21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-17-14(10)11/h3-5,7-8,17-18H,2H2,1H3.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide has a molecular weight of 316.34 g/mol, XLogP of 2.39, 4 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)-2-ethyl-1,3-oxazole-5-sulfonamide is sourced from PubChem (CID 170949429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).