3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one

C14H12Cl2N2O3S2 — CID 110644793

IUPAC3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Cl)s2)C1c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S2/c15-10-3-1-9(2-4-10)13-14(19)17-7-8-18(13)23(20,21)12-6-5-11(16)22-12/h1-6,13H,7-8H2,(H,17,19)
InChIKeyBOIUGASIERUPQY-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.92
Rot. Bonds3

About 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one

3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one (PubChem CID 110644793) has the molecular formula C14H12Cl2N2O3S2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
PubChem CID110644793
Molecular FormulaC14H12Cl2N2O3S2
Molecular Weight391.30 g/mol
Exact Mass389.97
IUPAC Name3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)c2ccc(Cl)s2)C1c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S2/c15-10-3-1-9(2-4-10)13-14(19)17-7-8-18(13)23(20,21)12-6-5-11(16)22-12/h1-6,13H,7-8H2,(H,17,19)
InChIKeyBOIUGASIERUPQY-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601203
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
9-(5-chlorothiophen-2-yl)sulfonyl-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074098
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)piperazin-2-one
CID 110604529
3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
CID 110657098
4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657636
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
5-(2-methyl-3-oxopiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63607534
3-(3-chlorophenyl)-4-methylsulfonylpiperazin-2-one
CID 110656884

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one (CID 110644793) is 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one is O=C1NCCN(S(=O)(=O)c2ccc(Cl)s2)C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one?
The InChIKey is BOIUGASIERUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S2/c15-10-3-1-9(2-4-10)13-14(19)17-7-8-18(13)23(20,21)12-6-5-11(16)22-12/h1-6,13H,7-8H2,(H,17,19).
What are the key properties of 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one?
3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one has a molecular weight of 391.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(5-chlorothiophen-2-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110644793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).