4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one

C20H21N3O4S — CID 110419970

IUPAC4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccccc1
InChIInChI=1S/C20H21N3O4S/c24-18-7-4-13-22(18)16-8-10-17(11-9-16)28(26,27)23-14-12-21-20(25)19(23)15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,21,25)
InChIKeyGCIJVEOXMCSZER-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.68
Rot. Bonds4

About 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one

4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one (PubChem CID 110419970) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
PubChem CID110419970
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccccc1
InChIInChI=1S/C20H21N3O4S/c24-18-7-4-13-22(18)16-8-10-17(11-9-16)28(26,27)23-14-12-21-20(25)19(23)15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,21,25)
InChIKeyGCIJVEOXMCSZER-UHFFFAOYSA-N
XLogP1.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-5-one
CID 110727957
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one;hydrochloride
CID 120767021
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one (CID 110419970) is 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1c1ccccc1.
What is the InChIKey of 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one?
The InChIKey is GCIJVEOXMCSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-18-7-4-13-22(18)16-8-10-17(11-9-16)28(26,27)23-14-12-21-20(25)19(23)15-5-2-1-3-6-15/h1-3,5-6,8-11,19H,4,7,12-14H2,(H,21,25).
What are the key properties of 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one?
4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one has a molecular weight of 399.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 110419970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).