1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

C16H19ClN2O2S2 — CID 113076664

IUPAC1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN2O2S2/c1-2-15-6-7-16(22-15)23(20,21)19-10-8-18(9-11-19)14-5-3-4-13(17)12-14/h3-7,12H,2,8-11H2,1H3
InChIKeyYDGQXEPVBIGQGL-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (PubChem CID 113076664) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
PubChem CID113076664
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN2O2S2/c1-2-15-6-7-16(22-15)23(20,21)19-10-8-18(9-11-19)14-5-3-4-13(17)12-14/h3-7,12H,2,8-11H2,1H3
InChIKeyYDGQXEPVBIGQGL-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

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 113075957
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333152
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (CID 113076664) is 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is YDGQXEPVBIGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-2-15-6-7-16(22-15)23(20,21)19-10-8-18(9-11-19)14-5-3-4-13(17)12-14/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine 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-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 113076664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).