1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine

C13H19ClN2O2S — CID 23853829

IUPAC1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-11(2)19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyZLOBCGLFWQMEOI-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.20
Rot. Bonds3

About 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine

1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine (PubChem CID 23853829) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
PubChem CID23853829
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine
SMILESCC(C)S(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O2S/c1-11(2)19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyZLOBCGLFWQMEOI-UHFFFAOYSA-N
XLogP2.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 35326952
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
7-(2-chlorophenyl)-4-propan-2-ylsulfonyl-1,4-thiazepane 1,1-dioxide
CID 121193134
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
2-phenyl-5-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-pyridazine-3,4-dione
CID 118350766
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
4-(4-propan-2-ylsulfonylpiperazin-1-yl)pyridin-3-amine
CID 60859911
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
methyl 4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 26527277
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(2-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60916370

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine (CID 23853829) is 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine is CC(C)S(=O)(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine?
The InChIKey is ZLOBCGLFWQMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11(2)19(17,18)16-9-7-15(8-10-16)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine?
1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine has a molecular weight of 302.83 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 23853829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).