1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

C16H19ClN2O4S3 — CID 19684812

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C16H19ClN2O4S3/c1-12-3-4-13(2)14(11-12)25(20,21)18-7-9-19(10-8-18)26(22,23)16-6-5-15(17)24-16/h3-6,11H,7-10H2,1-2H3
InChIKeyIRYSOTGOFUTLDG-UHFFFAOYSA-N
MW434.99 g/mol
LogP2.71
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 19684812) has the molecular formula C16H19ClN2O4S3 and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID19684812
Molecular FormulaC16H19ClN2O4S3
Molecular Weight434.99 g/mol
Exact Mass434.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1
InChIInChI=1S/C16H19ClN2O4S3/c1-12-3-4-13(2)14(11-12)25(20,21)18-7-9-19(10-8-18)26(22,23)16-6-5-15(17)24-16/h3-6,11H,7-10H2,1-2H3
InChIKeyIRYSOTGOFUTLDG-UHFFFAOYSA-N
XLogP2.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine 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

1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 24680207
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60676123
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine (CID 19684812) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is IRYSOTGOFUTLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S3/c1-12-3-4-13(2)14(11-12)25(20,21)18-7-9-19(10-8-18)26(22,23)16-6-5-15(17)24-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 434.99 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).