1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine

C17H25ClN2O4S — CID 134161125

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC(OC)C2)CC1
InChIInChI=1S/C17H25ClN2O4S/c1-23-15-7-8-19(12-15)14-5-9-20(10-6-14)25(21,22)17-11-13(18)3-4-16(17)24-2/h3-4,11,14-15H,5-10,12H2,1-2H3
InChIKeyGWKRUPYPEWYYFQ-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.22
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine

1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine (PubChem CID 134161125) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
PubChem CID134161125
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC(OC)C2)CC1
InChIInChI=1S/C17H25ClN2O4S/c1-23-15-7-8-19(12-15)14-5-9-20(10-6-14)25(21,22)17-11-13(18)3-4-16(17)24-2/h3-4,11,14-15H,5-10,12H2,1-2H3
InChIKeyGWKRUPYPEWYYFQ-UHFFFAOYSA-N
XLogP2.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine 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

2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3518759
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine (CID 134161125) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(N2CCC(OC)C2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine?
The InChIKey is GWKRUPYPEWYYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-23-15-7-8-19(12-15)14-5-9-20(10-6-14)25(21,22)17-11-13(18)3-4-16(17)24-2/h3-4,11,14-15H,5-10,12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine?
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine has a molecular weight of 388.92 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine is sourced from PubChem (CID 134161125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).