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

C16H19ClN2O3S2 — CID 45029631

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)19-10-8-18(9-11-19)12-13-22-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeyRDNSYKPYTGQZDO-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.79
Rot. Bonds6

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

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine (PubChem CID 45029631) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
PubChem CID45029631
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)19-10-8-18(9-11-19)12-13-22-14-4-2-1-3-5-14/h1-7H,8-13H2
InChIKeyRDNSYKPYTGQZDO-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 8757842
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
4-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 60575695
1-(5-bromothiophen-2-yl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 38799381
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
4-chloro-2-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34041069
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
5-chloro-4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]thiadiazole
CID 46562847
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
3-[4-(2-phenoxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9301114
1-(5-chlorothiophen-2-yl)sulfonyl-4-[2-(cyclohexen-1-yl)ethyl]piperazine
CID 113073206

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine (CID 45029631) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine is O=S(=O)(c1ccc(Cl)s1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine?
The InChIKey is RDNSYKPYTGQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)19-10-8-18(9-11-19)12-13-22-14-4-2-1-3-5-14/h1-7H,8-13H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine has a molecular weight of 386.93 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 45029631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).