4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide

C25H24N4O3S — CID 15943384

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25-7-4-15-29(25)21-9-11-22(12-10-21)33(31,32)27-20-8-13-24-23(17-20)26-18-28(24)16-14-19-5-2-1-3-6-19/h1-3,5-6,8-13,17-18,27H,4,7,14-16H2
InChIKeyALJMUIDFFGMTAS-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.21
Rot. Bonds7

About 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide

4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 15943384) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID15943384
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25-7-4-15-29(25)21-9-11-22(12-10-21)33(31,32)27-20-8-13-24-23(17-20)26-18-28(24)16-14-19-5-2-1-3-6-19/h1-3,5-6,8-13,17-18,27H,4,7,14-16H2
InChIKeyALJMUIDFFGMTAS-UHFFFAOYSA-N
XLogP4.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
CID 47076109
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide (CID 15943384) is 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is ALJMUIDFFGMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25-7-4-15-29(25)21-9-11-22(12-10-21)33(31,32)27-20-8-13-24-23(17-20)26-18-28(24)16-14-19-5-2-1-3-6-19/h1-3,5-6,8-13,17-18,27H,4,7,14-16H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide?
4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 460.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 15943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).