1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine

C13H19ClN2O2S — CID 65447506

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
SMILESCC1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2O2S/c1-11-10-16(7-6-15-11)8-9-19(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyHGNRTFLRFWXIBK-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine

1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine (PubChem CID 65447506) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
PubChem CID65447506
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine
SMILESCC1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2O2S/c1-11-10-16(7-6-15-11)8-9-19(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyHGNRTFLRFWXIBK-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
CID 115966792
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
(3S)-1-[2-(5-chloro-2-ethylphenyl)ethyl]-3-methylpiperazine
CID 135168661
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
CID 103815500
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 597268
3-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 119924370
(2S,5S)-4-[2-(4-chlorophenyl)sulfonylethyl]-2,5-dimethylmorpholine
CID 98750419
(3R)-1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperazine
CID 104975926

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine (CID 65447506) is 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine is CC1CN(CCS(=O)(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine?
The InChIKey is HGNRTFLRFWXIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11-10-16(7-6-15-11)8-9-19(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine?
1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylpiperazine is sourced from PubChem (CID 65447506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).