[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone

C15H14Cl2N2O3S2 — CID 9440850

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-11-1-3-12(4-2-11)24(21,22)19-9-7-18(8-10-19)15(20)13-5-6-14(17)23-13/h1-6H,7-10H2
InChIKeyQKQMJDAUAWASFL-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.20
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 9440850) has the molecular formula C15H14Cl2N2O3S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID9440850
Molecular FormulaC15H14Cl2N2O3S2
Molecular Weight405.33 g/mol
Exact Mass403.98
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-11-1-3-12(4-2-11)24(21,22)19-9-7-18(8-10-19)15(20)13-5-6-14(17)23-13/h1-6H,7-10H2
InChIKeyQKQMJDAUAWASFL-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 9440850) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is QKQMJDAUAWASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S2/c16-11-1-3-12(4-2-11)24(21,22)19-9-7-18(8-10-19)15(20)13-5-6-14(17)23-13/h1-6H,7-10H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 405.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 9440850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).