N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide

C23H26N4O3S — CID 46385647

IUPACN-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
SMILESCC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc21
InChIInChI=1S/C23H26N4O3S/c1-23(2)16-27(15-22(28)26-10-3-4-11-26)21-9-8-19(13-20(21)23)31(29,30)25-18-7-5-6-17(12-18)14-24/h5-9,12-13,25H,3-4,10-11,15-16H2,1-2H3
InChIKeyKYURNSXLLFKWQJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.08
Rot. Bonds5

About N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide

N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide (PubChem CID 46385647) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
PubChem CID46385647
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
SMILESCC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc21
InChIInChI=1S/C23H26N4O3S/c1-23(2)16-27(15-22(28)26-10-3-4-11-26)21-9-8-19(13-20(21)23)31(29,30)25-18-7-5-6-17(12-18)14-24/h5-9,12-13,25H,3-4,10-11,15-16H2,1-2H3
InChIKeyKYURNSXLLFKWQJ-UHFFFAOYSA-N
XLogP3.08
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The IUPAC name of N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide (CID 46385647) is N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide is CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc21.
What is the InChIKey of N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
The InChIKey is KYURNSXLLFKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-23(2)16-27(15-22(28)26-10-3-4-11-26)21-9-8-19(13-20(21)23)31(29,30)25-18-7-5-6-17(12-18)14-24/h5-9,12-13,25H,3-4,10-11,15-16H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide?
N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3,3-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 46385647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).