1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine

C16H19ClN2O2S2 — CID 6469560

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H19ClN2O2S2/c1-13-4-2-3-5-14(13)12-18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h2-7H,8-12H2,1H3
InChIKeyLXGXIGZHGFVVLO-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.22
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 6469560) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
PubChem CID6469560
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H19ClN2O2S2/c1-13-4-2-3-5-14(13)12-18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h2-7H,8-12H2,1H3
InChIKeyLXGXIGZHGFVVLO-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine 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-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
2-[(5-Chlorothiophen-2-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1228698
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 2480643
4-Benzyl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine
CID 2943089
1-Benzyl-4-[(2,5-dimethylthien-3-yl)sulfonyl]piperazine
CID 6603587
4-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261822
4-[2-[(4-Methylpiperazin-1-yl)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45265192
1-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 8622836
5-Methyl-2-{[4-benzylpiperazinyl]sulfonyl}thiophene
CID 2090982
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
4-[(5-Chlorothiophen-2-yl)sulfonyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 3762016
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 4850106

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine (CID 6469560) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is LXGXIGZHGFVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-13-4-2-3-5-14(13)12-18-8-10-19(11-9-18)23(20,21)16-7-6-15(17)22-16/h2-7H,8-12H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 370.93 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 6469560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).