1-benzhydryl-5-oxopyrrolidine-3-sulfonamide

C17H18N2O3S — CID 168718070

IUPAC1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H2,18,21,22)
InChIKeyPNIVIBNAGRAUHE-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.67
Rot. Bonds4

About 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide

1-benzhydryl-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718070) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718070
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H18N2O3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H2,18,21,22)
InChIKeyPNIVIBNAGRAUHE-UHFFFAOYSA-N
XLogP1.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714742
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716400
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
3-(2-fluorophenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716634
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide (CID 168718070) is 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PNIVIBNAGRAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H2,18,21,22).
What are the key properties of 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide?
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).