(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C16H16Cl2N2O3S2 — CID 33049140

IUPAC(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C16H16Cl2N2O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-12(17)10-14(13)18/h2-5,10H,6-9H2,1H3
InChIKeyOLPVHWQOWGLYDL-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.51
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 33049140) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID33049140
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC Name(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C16H16Cl2N2O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-12(17)10-14(13)18/h2-5,10H,6-9H2,1H3
InChIKeyOLPVHWQOWGLYDL-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-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

Related Compounds

(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24682732
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 110363728
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
(2,4-dichlorophenyl)-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 133309329

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 33049140) is (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is OLPVHWQOWGLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-12(17)10-14(13)18/h2-5,10H,6-9H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 419.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 33049140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).