(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C14H19ClN2O3S — CID 777474

IUPAC(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-11-21(19,20)17-9-7-16(8-10-17)14(18)12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyLRXSOZZSABHKNV-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.84
Rot. Bonds4

About (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 777474) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID777474
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-11-21(19,20)17-9-7-16(8-10-17)14(18)12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyLRXSOZZSABHKNV-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
(5-chloro-2-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810249
(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804822
(2-bromo-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 103754452
(4-chloro-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 81230618
1-(4-chlorophenyl)-3-[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]propan-1-one
CID 58561826
2-(4-chlorophenoxy)-1-(4-propylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110798767

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 777474) is (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is LRXSOZZSABHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-11-21(19,20)17-9-7-16(8-10-17)14(18)12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 330.84 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 777474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).