1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine

C16H19ClN2O2S2 — CID 6464314

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeySCDMTYJIMJTXSR-UHFFFAOYSA-N
MW370.93 g/mol
LogP2.95
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 6464314) 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-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID6464314
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeySCDMTYJIMJTXSR-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cinnamyl-4-(thiophen-2-ylsulfonyl)piperazine hydrochloride
CID 6603683
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
1-(5-Bromothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine
CID 8684995
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
1-(5-Chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 4850106
1-[(5-Chloro-2-thienyl)sulfonyl]-4-(2-methylbenzyl)piperazine
CID 6469560

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine (CID 6464314) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is SCDMTYJIMJTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c17-15-6-7-16(22-15)23(20,21)19-12-10-18(11-13-19)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 370.93 g/mol, XLogP of 2.95, 5 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-phenylethyl)piperazine is sourced from PubChem (CID 6464314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).