4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine

C19H22ClNO3S — CID 1106586

IUPAC4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClNO3S/c1-24-18-8-7-17(20)14-19(18)25(22,23)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3
InChIKeyJLDKUYLKYJOKGD-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.99
Rot. Bonds5

About 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine

4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine (PubChem CID 1106586) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
PubChem CID1106586
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClNO3S/c1-24-18-8-7-17(20)14-19(18)25(22,23)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3
InChIKeyJLDKUYLKYJOKGD-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-(5-chloro-2-methoxyphenyl)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

4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
CID 171692060
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylazepane
CID 121146270
4-benzyl-1-(4-methoxy-3-nitrophenyl)sulfonylpiperidine
CID 2916851
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 5092977
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine (CID 1106586) is 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The InChIKey is JLDKUYLKYJOKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-24-18-8-7-17(20)14-19(18)25(22,23)21-11-9-16(10-12-21)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3.
What are the key properties of 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine has a molecular weight of 379.91 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 1106586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).