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

C16H19ClN2O2S2 — CID 3762016

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2C)cc1
InChIInChI=1S/C16H19ClN2O2S2/c1-12-3-5-14(6-4-12)19-10-9-18(11-13(19)2)23(20,21)16-8-7-15(17)22-16/h3-8,13H,9-11H2,1-2H3
InChIKeyHWZFOAYPZTXCFY-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.61
Rot. Bonds3

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

4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (PubChem CID 3762016) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
PubChem CID3762016
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2C)cc1
InChIInChI=1S/C16H19ClN2O2S2/c1-12-3-5-14(6-4-12)19-10-9-18(11-13(19)2)23(20,21)16-8-7-15(17)22-16/h3-8,13H,9-11H2,1-2H3
InChIKeyHWZFOAYPZTXCFY-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine (CID 3762016) is 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2C)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
The InChIKey is HWZFOAYPZTXCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-12-3-5-14(6-4-12)19-10-9-18(11-13(19)2)23(20,21)16-8-7-15(17)22-16/h3-8,13H,9-11H2,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine?
4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine has a molecular weight of 370.93 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine is sourced from PubChem (CID 3762016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).