(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C15H17Cl2N3O4S — CID 9299449

IUPAC(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N1
InChIInChI=1S/C15H17Cl2N3O4S/c16-10-2-1-3-11(17)14(10)25(23,24)20-8-6-19(7-9-20)15(22)12-4-5-13(21)18-12/h1-3,12H,4-9H2,(H,18,21)/t12-/m0/s1
InChIKeyKZTNBNKXOUGSPB-LBPRGKRZSA-N
MW406.29 g/mol
LogP1.10
Rot. Bonds3

About (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9299449) has the molecular formula C15H17Cl2N3O4S and a molecular weight of 406.29 g/mol. Its IUPAC name is (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID9299449
Molecular FormulaC15H17Cl2N3O4S
Molecular Weight406.29 g/mol
Exact Mass405.03
IUPAC Name(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N1
InChIInChI=1S/C15H17Cl2N3O4S/c16-10-2-1-3-11(17)14(10)25(23,24)20-8-6-19(7-9-20)15(22)12-4-5-13(21)18-12/h1-3,12H,4-9H2,(H,18,21)/t12-/m0/s1
InChIKeyKZTNBNKXOUGSPB-LBPRGKRZSA-N
XLogP1.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9369465
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053726
(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9496421
5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42908208
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
5-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 137342449
5-[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepane-4-carbonyl]pyrrolidin-2-one
CID 121192722
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769479
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 9299449) is (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)N1.
What is the InChIKey of (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KZTNBNKXOUGSPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17Cl2N3O4S/c16-10-2-1-3-11(17)14(10)25(23,24)20-8-6-19(7-9-20)15(22)12-4-5-13(21)18-12/h1-3,12H,4-9H2,(H,18,21)/t12-/m0/s1.
What are the key properties of (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 406.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9299449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).