3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one

C29H26N2O5S2 — CID 67001095

IUPAC3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one
SMILESCS(=O)(=O)c1cccc(-c2cccc(C3CNC(S(=O)(=O)c4ccccc4)C(=O)N3c3ccccc3)c2)c1
InChIInChI=1S/C29H26N2O5S2/c1-37(33,34)26-17-9-11-22(19-26)21-10-8-12-23(18-21)27-20-30-28(38(35,36)25-15-6-3-7-16-25)29(32)31(27)24-13-4-2-5-14-24/h2-19,27-28,30H,20H2,1H3
InChIKeyDGWFJOXLOMZVNA-UHFFFAOYSA-N
MW546.67 g/mol
LogP4.23
Rot. Bonds6

About 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one

3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one (PubChem CID 67001095) has the molecular formula C29H26N2O5S2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one
PubChem CID67001095
Molecular FormulaC29H26N2O5S2
Molecular Weight546.67 g/mol
Exact Mass546.13
IUPAC Name3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one
SMILESCS(=O)(=O)c1cccc(-c2cccc(C3CNC(S(=O)(=O)c4ccccc4)C(=O)N3c3ccccc3)c2)c1
InChIInChI=1S/C29H26N2O5S2/c1-37(33,34)26-17-9-11-22(19-26)21-10-8-12-23(18-21)27-20-30-28(38(35,36)25-15-6-3-7-16-25)29(32)31(27)24-13-4-2-5-14-24/h2-19,27-28,30H,20H2,1H3
InChIKeyDGWFJOXLOMZVNA-UHFFFAOYSA-N
XLogP4.23
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
CID 67042094
tert-butyl [(3S,4S)-3-[3-(3-methylsulfonylphenyl)phenyl]-4-phenylpiperidin-1-yl] carbonate
CID 90254850
3-(3-methylsulfonylphenyl)-5-phenyl-6,7-dihydro-5H-thieno[2,3-b]pyridin-4-one
CID 91226419
tert-butyl 3-[3-(3-methylsulfonylphenyl)phenyl]-4-phenylpiperidine-1-carboxylate
CID 67000291
3-[3-[1-(benzenesulfonyl)-3-propan-2-ylimidazolidin-4-yl]phenyl]-5-methylsulfonylpyridine
CID 67042095
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
CID 151743703
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676
3-[3-[4-(benzenesulfonyl)-1-phenylpiperazin-2-yl]phenyl]-N-methylaniline
CID 140544868
4-(3-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridine
CID 22397844
2-[4-[5-(3-methylsulfonylphenyl)pyrazol-1-yl]phenyl]morpholine
CID 174711206
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one?
The IUPAC name of 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one (CID 67001095) is 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one is CS(=O)(=O)c1cccc(-c2cccc(C3CNC(S(=O)(=O)c4ccccc4)C(=O)N3c3ccccc3)c2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one?
The InChIKey is DGWFJOXLOMZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5S2/c1-37(33,34)26-17-9-11-22(19-26)21-10-8-12-23(18-21)27-20-30-28(38(35,36)25-15-6-3-7-16-25)29(32)31(27)24-13-4-2-5-14-24/h2-19,27-28,30H,20H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one?
3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one has a molecular weight of 546.67 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-[3-(3-methylsulfonylphenyl)phenyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 67001095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).