1-(4-chlorophenyl)sulfonylpyrrolidin-2-one

C10H10ClNO3S — CID 667535

IUPAC1-(4-chlorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyMNKFPWSNHAGXGA-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.65
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one

1-(4-chlorophenyl)sulfonylpyrrolidin-2-one (PubChem CID 667535) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpyrrolidin-2-one
PubChem CID667535
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name1-(4-chlorophenyl)sulfonylpyrrolidin-2-one
SMILESO=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2
InChIKeyMNKFPWSNHAGXGA-UHFFFAOYSA-N
XLogP1.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinone
CID 3161862
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
1-(Phenylsulfonyl)-2-pyrrolidinone
CID 667602
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
3-{[(4-Chlorophenyl)sulfonyl]amino}-1-pyrrolidinylpropan-1-one
CID 2238981
4-Chloro-N-(3-(2-oxopyrrolidin-1-yl)propyl)benzenesulfonamide
CID 2361133
[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3155582
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717184
(4-(4-Chlorophenylsulfonyl)piperazin-1-yl)(cyclopropyl)methanone
CID 4807210
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 2819370

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one (CID 667535) is 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one is O=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one?
The InChIKey is MNKFPWSNHAGXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-7-1-2-10(12)13/h3-6H,1-2,7H2.
What are the key properties of 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one?
1-(4-chlorophenyl)sulfonylpyrrolidin-2-one has a molecular weight of 259.71 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 667535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).