3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one

C18H19ClN2O4S — CID 110656947

IUPAC3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-2-25-15-6-8-16(9-7-15)26(23,24)21-11-10-20-18(22)17(21)13-4-3-5-14(19)12-13/h3-9,12,17H,2,10-11H2,1H3,(H,20,22)
InChIKeyOGLSCDAFPXUWFW-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.60
Rot. Bonds5

About 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one

3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one (PubChem CID 110656947) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
PubChem CID110656947
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-2-25-15-6-8-16(9-7-15)26(23,24)21-11-10-20-18(22)17(21)13-4-3-5-14(19)12-13/h3-9,12,17H,2,10-11H2,1H3,(H,20,22)
InChIKeyOGLSCDAFPXUWFW-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656949
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
3-(3-chlorophenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-2-one
CID 110656903
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
CID 110644656
(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
CID 40548155
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
4-[2-(4-chlorophenoxy)acetyl]-3-(3-chlorophenyl)piperazin-2-one
CID 110656825
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110420326

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one (CID 110656947) is 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one is CCOc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
The InChIKey is OGLSCDAFPXUWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-2-25-15-6-8-16(9-7-15)26(23,24)21-11-10-20-18(22)17(21)13-4-3-5-14(19)12-13/h3-9,12,17H,2,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one?
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one has a molecular weight of 394.88 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110656947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).