1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine

C13H18ClNO3S — CID 110757932

IUPAC1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-8-12(18-2)11(14)9-13(10)19(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeySSJGLCJJHNRUDP-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.83
Rot. Bonds3

About 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine

1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 110757932) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID110757932
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C13H18ClNO3S/c1-10-8-12(18-2)11(14)9-13(10)19(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeySSJGLCJJHNRUDP-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-4-ethynylpiperidin-4-ol
CID 126822190
1-[4-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796584
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
(2R)-1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 120606502
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963342
2-[[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120726999
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555
5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxybenzoic acid
CID 20506094

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 110757932) is 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine is COc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is SSJGLCJJHNRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-8-12(18-2)11(14)9-13(10)19(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine?
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 303.81 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110757932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).