(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine

C12H17ClN2O2S — CID 82755095

IUPAC(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C12H17ClN2O2S/c1-9-8-14-6-7-15(9)18(16,17)12-5-3-4-11(13)10(12)2/h3-5,9,14H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyPIOVSINSFMXHGF-SECBINFHSA-N
MW288.80 g/mol
LogP1.63
Rot. Bonds2

About (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine

(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine (PubChem CID 82755095) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
PubChem CID82755095
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C12H17ClN2O2S/c1-9-8-14-6-7-15(9)18(16,17)12-5-3-4-11(13)10(12)2/h3-5,9,14H,6-8H2,1-2H3/t9-/m1/s1
InChIKeyPIOVSINSFMXHGF-SECBINFHSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine?
The IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine (CID 82755095) is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine?
The canonical SMILES for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine is Cc1c(Cl)cccc1S(=O)(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine?
The InChIKey is PIOVSINSFMXHGF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-8-14-6-7-15(9)18(16,17)12-5-3-4-11(13)10(12)2/h3-5,9,14H,6-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine?
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine has a molecular weight of 288.80 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperazine is sourced from PubChem (CID 82755095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).