(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine

C11H15ClN2O2S — CID 82755471

IUPAC(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-9-8-13-5-6-14(9)17(15,16)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyWPSXCMDZLWEQOA-VIFPVBQESA-N
MW274.77 g/mol
LogP1.32
Rot. Bonds2

About (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine

(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine (PubChem CID 82755471) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
PubChem CID82755471
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine
SMILESC[C@H]1CNCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c1-9-8-13-5-6-14(9)17(15,16)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyWPSXCMDZLWEQOA-VIFPVBQESA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 62672435
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
methyl 3-(2-methylpiperazin-1-yl)sulfonylbenzoate
CID 62673312
1-(5-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120894010
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperazine
CID 120708063
N,N-dimethyl-3-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969871
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine (CID 82755471) is (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine is C[C@H]1CNCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine?
The InChIKey is WPSXCMDZLWEQOA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-9-8-13-5-6-14(9)17(15,16)11-4-2-3-10(12)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine?
(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine has a molecular weight of 274.77 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chlorophenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 82755471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).