(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C16H20ClN3O4S — CID 29134624

IUPAC(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C16H20ClN3O4S/c1-25(23,24)19-7-5-18(6-8-19)16(22)12-9-15(21)20(11-12)14-4-2-3-13(17)10-14/h2-4,10,12H,5-9,11H2,1H3/t12-/m0/s1
InChIKeyJEWYJROLCXUGQP-LBPRGKRZSA-N
MW385.87 g/mol
LogP0.80
Rot. Bonds3

About (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 29134624) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID29134624
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1
InChIInChI=1S/C16H20ClN3O4S/c1-25(23,24)19-7-5-18(6-8-19)16(22)12-9-15(21)20(11-12)14-4-2-3-13(17)10-14/h2-4,10,12H,5-9,11H2,1H3/t12-/m0/s1
InChIKeyJEWYJROLCXUGQP-LBPRGKRZSA-N
XLogP0.80
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42582568
4-(4-methylsulfonylpiperazine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 42650720
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
1-(3-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 43058688
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
(4R)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 34365838
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
1-(3-ethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 43058046
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 29134624) is (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1.
What is the InChIKey of (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is JEWYJROLCXUGQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-25(23,24)19-7-5-18(6-8-19)16(22)12-9-15(21)20(11-12)14-4-2-3-13(17)10-14/h2-4,10,12H,5-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 385.87 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 29134624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).