1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine

C19H24N2O2S — CID 113076137

IUPAC1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c1-16(2)18-10-6-7-11-19(18)20-12-14-21(15-13-20)24(22,23)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyOVQMXLZTODZLEW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.32
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine

1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine (PubChem CID 113076137) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
PubChem CID113076137
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O2S/c1-16(2)18-10-6-7-11-19(18)20-12-14-21(15-13-20)24(22,23)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyOVQMXLZTODZLEW-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076142
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 3320579
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 28568311
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-(2-propan-2-ylphenyl)piperazine
CID 3608822

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine (CID 113076137) is 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine is CC(C)c1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine?
The InChIKey is OVQMXLZTODZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16(2)18-10-6-7-11-19(18)20-12-14-21(15-13-20)24(22,23)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine?
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine has a molecular weight of 344.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 113076137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).