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

C14H19ClN2O3S — CID 51252212

IUPAC3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3
InChIKeyANQFAXPGDXQMJZ-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.38
Rot. Bonds4

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

3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 51252212) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID51252212
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3
InChIKeyANQFAXPGDXQMJZ-UHFFFAOYSA-N
XLogP1.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564526
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
3-(2-hydroxyphenyl)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27796787
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-[4-[(2-chlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796751
1-(4-methylsulfonylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 51252135
2-(2-chlorophenyl)-1-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 91921417
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (CID 51252212) is 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is CS(=O)(=O)N1CCN(C(=O)CCc2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is ANQFAXPGDXQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)17-10-8-16(9-11-17)14(18)7-6-12-4-2-3-5-13(12)15/h2-5H,6-11H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 330.84 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 51252212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).