4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one

C17H18ClN3O3S — CID 56907199

IUPAC4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(NS(=O)(=O)NCc2ccccc2)CN1c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-15-8-4-5-9-16(15)21-12-14(10-17(21)22)20-25(23,24)19-11-13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyPNYAXSCRQQEEFJ-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.07
Rot. Bonds6

About 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one

4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 56907199) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID56907199
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(NS(=O)(=O)NCc2ccccc2)CN1c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3S/c18-15-8-4-5-9-16(15)21-12-14(10-17(21)22)20-25(23,24)19-11-13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyPNYAXSCRQQEEFJ-UHFFFAOYSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710154
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-(2-chlorophenyl)pyrrolidin-2-one
CID 40698692
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-[[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 146136082
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119474578
3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119252112
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
4-amino-1-(2-chlorophenyl)piperidin-2-one
CID 83642987

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one (CID 56907199) is 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one is O=C1CC(NS(=O)(=O)NCc2ccccc2)CN1c1ccccc1Cl.
What is the InChIKey of 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is PNYAXSCRQQEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-15-8-4-5-9-16(15)21-12-14(10-17(21)22)20-25(23,24)19-11-13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2.
What are the key properties of 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one?
4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 379.87 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoylamino)-1-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 56907199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).