1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one

C14H19ClN2O3S — CID 63004712

IUPAC1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)7-6-14(18)12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3
InChIKeySVOAERKLARVNLT-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.49
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one

1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 63004712) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID63004712
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(CCC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)7-6-14(18)12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3
InChIKeySVOAERKLARVNLT-UHFFFAOYSA-N
XLogP1.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002754
1-(4-bromophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002569
1-(1-benzothiophen-3-yl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 52951871
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
1-(2-chloro-5-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050177
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
CID 114079724
[2-(2-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 87403648

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one (CID 63004712) is 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one is CS(=O)(=O)N1CCN(CCC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is SVOAERKLARVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)7-6-14(18)12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 330.84 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63004712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).