N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide

C16H22Cl2N2O3S — CID 86946476

IUPACN-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O3S/c1-3-7-24(22,23)20-6-4-5-12(11-20)16(21)19(2)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3
InChIKeyCJYDBNBHMCORTG-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.41
Rot. Bonds5

About N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide

N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 86946476) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID86946476
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC NameN-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O3S/c1-3-7-24(22,23)20-6-4-5-12(11-20)16(21)19(2)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3
InChIKeyCJYDBNBHMCORTG-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide 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

(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 86889050
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 46489746
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55760672
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 133163562

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide (CID 86946476) is N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)N(C)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is CJYDBNBHMCORTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-3-7-24(22,23)20-6-4-5-12(11-20)16(21)19(2)15-9-13(17)8-14(18)10-15/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide?
N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-methyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 86946476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).