N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H23ClN2O3S — CID 1327087

IUPACN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-3-7-18(8-4-14)27(25,26)23-11-9-16(10-12-23)20(24)22-17-6-5-15(2)19(21)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyYMDFCZVPHCUWKM-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.00
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1327087) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1327087
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-3-7-18(8-4-14)27(25,26)23-11-9-16(10-12-23)20(24)22-17-6-5-15(2)19(21)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyYMDFCZVPHCUWKM-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-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

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-(3-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081283
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-{4-[(5-chloro-3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl]phenyl}acetamide
CID 1261961
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
2-(2-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 15945348
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26412245
1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26641666
1-(2,4-dimethylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 45741848
1-acetyl-N-(3-chloro-4-methyl-phenyl)-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 51038252

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1327087) is N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YMDFCZVPHCUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-3-7-18(8-4-14)27(25,26)23-11-9-16(10-12-23)20(24)22-17-6-5-15(2)19(21)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1327087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).