3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one

C28H28Cl2N4O4S — CID 67140925

IUPAC3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4Cl)C(=O)N3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C28H28Cl2N4O4S/c1-19-11-12-20(2)24(17-19)31-13-15-32(16-14-31)27(35)25-18-33(39(37,38)26-10-6-4-8-22(26)30)28(36)34(25)23-9-5-3-7-21(23)29/h3-12,17,25H,13-16,18H2,1-2H3
InChIKeyVUKZEKXGYLCMNH-UHFFFAOYSA-N
MW587.53 g/mol
LogP4.96
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one

3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one (PubChem CID 67140925) has the molecular formula C28H28Cl2N4O4S and a molecular weight of 587.53 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
PubChem CID67140925
Molecular FormulaC28H28Cl2N4O4S
Molecular Weight587.53 g/mol
Exact Mass586.12
IUPAC Name3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4Cl)C(=O)N3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C28H28Cl2N4O4S/c1-19-11-12-20(2)24(17-19)31-13-15-32(16-14-31)27(35)25-18-33(39(37,38)26-10-6-4-8-22(26)30)28(36)34(25)23-9-5-3-7-21(23)29/h3-12,17,25H,13-16,18H2,1-2H3
InChIKeyVUKZEKXGYLCMNH-UHFFFAOYSA-N
XLogP4.96
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one with MolForge

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Related Compounds

3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one
CID 25027713
1-(benzenesulfonyl)-3-(2,4-difluorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one
CID 67141119
4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 25030244
(4S)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-2-one
CID 67140734
1-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-propan-2-ylimidazolidin-2-one
CID 25028147
[4-(4-chlorophenyl)sulfonyl-1-phenylpiperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185336
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-naphthalen-1-ylsulfonylpiperazin-2-yl]methanone
CID 25185626
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
1-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 136515730
[4-(3-chlorophenyl)sulfonyl-1-(2-methylpropyl)piperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185064
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 68719992

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one (CID 67140925) is 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one is Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4Cl)C(=O)N3c3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one?
The InChIKey is VUKZEKXGYLCMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O4S/c1-19-11-12-20(2)24(17-19)31-13-15-32(16-14-31)27(35)25-18-33(39(37,38)26-10-6-4-8-22(26)30)28(36)34(25)23-9-5-3-7-21(23)29/h3-12,17,25H,13-16,18H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one?
3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one has a molecular weight of 587.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2-chlorophenyl)sulfonyl-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 67140925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).