3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one

C15H20ClNO3S — CID 3423815

IUPAC3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO3S/c1-12-6-9-17(10-7-12)15(18)8-11-21(19,20)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyMNSYZHBSCIQMCX-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one

3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 3423815) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID3423815
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO3S/c1-12-6-9-17(10-7-12)15(18)8-11-21(19,20)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyMNSYZHBSCIQMCX-UHFFFAOYSA-N
XLogP2.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
CID 2819413
1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
1-[2-(4-Chloro-phenylsulfanyl)-acetyl]-piperidine-4-carboxylic acid ethyl ester
CID 769763
1-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}piperidine-4-carboxamide
CID 778062
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 4808770
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036
1-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-3-methylpentyl]-4-methylpiperidine
CID 44368306
[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3155582
3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide
CID 4012085
4-Chloro-N-[3-(4-methyl-piperidin-1-yl)-3-oxo-propyl]-benzenesulfonamide
CID 3160568
1-(4-{[(3,4-Dichlorophenyl)sulfonyl]methyl}-4-hydroxypiperidino)-3-methyl-1-butanone
CID 3740509

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one (CID 3423815) is 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is MNSYZHBSCIQMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-12-6-9-17(10-7-12)15(18)8-11-21(19,20)14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 329.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3423815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).