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

C16H19ClN2O2S2 — CID 113075957

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H19ClN2O2S2/c1-2-13-3-5-14(6-4-13)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h3-8H,2,9-12H2,1H3
InChIKeyGXZUJPBIGOTKPS-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.47
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine (PubChem CID 113075957) 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-(4-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
PubChem CID113075957
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H19ClN2O2S2/c1-2-13-3-5-14(6-4-13)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h3-8H,2,9-12H2,1H3
InChIKeyGXZUJPBIGOTKPS-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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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Related Compounds

1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
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-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 63340783
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075942
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine (CID 113075957) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine is CCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine?
The InChIKey is GXZUJPBIGOTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-2-13-3-5-14(6-4-13)18-9-11-19(12-10-18)23(20,21)16-8-7-15(17)22-16/h3-8H,2,9-12H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine has a molecular weight of 370.93 g/mol, XLogP of 3.47, 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-(4-ethylphenyl)piperazine is sourced from PubChem (CID 113075957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).