N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide

C15H21ClN2O4S — CID 110342661

IUPACN-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-6-5-12(11-13(14)16)17-15(19)7-10-23(20,21)18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWWLJBKFAQHMBPH-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.49
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide

N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide (PubChem CID 110342661) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
PubChem CID110342661
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-6-5-12(11-13(14)16)17-15(19)7-10-23(20,21)18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyWWLJBKFAQHMBPH-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide 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

N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16599033
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2715766
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 42964549
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
CID 15997139
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide (CID 110342661) is N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide is COc1ccc(NC(=O)CCS(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide?
The InChIKey is WWLJBKFAQHMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-22-14-6-5-12(11-13(14)16)17-15(19)7-10-23(20,21)18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide?
N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide has a molecular weight of 360.86 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).