1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine

C17H20N2O2S — CID 110707939

IUPAC1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)22(20,21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyDYXXKDYJQDIRLJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.59
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine

1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine (PubChem CID 110707939) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
PubChem CID110707939
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)22(20,21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyDYXXKDYJQDIRLJ-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzenesulfonyl)-2-methyl-4-(4-nitrophenyl)piperazine
CID 7319813
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
(2R)-1-(benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 7319814
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
CID 97254315
(2S)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
CID 97254316
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
4-[(3R)-3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]benzonitrile
CID 58925887
(2S)-1,1,1-trifluoro-2-[4-[(2R)-2-methyl-4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]propan-2-ol
CID 23648604
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine (CID 110707939) is 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine is CC1CN(c2ccccc2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine?
The InChIKey is DYXXKDYJQDIRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-15-14-18(16-8-4-2-5-9-16)12-13-19(15)22(20,21)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine?
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine has a molecular weight of 316.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine is sourced from PubChem (CID 110707939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).