N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H23ClN2O3S — CID 1077699

IUPACN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyOBKIWSDWDJIJQC-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.37
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1077699) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1077699
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
InChIKeyOBKIWSDWDJIJQC-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
(S)-1-((3-Chloro-2-methylphenyl)sulfonyl)-N-cyclohexylpiperidine-3-carboxamide
CID 11538562
2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 2967611
N-(2,4-dichlorobenzyl)-1-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1306384
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
1-(2-bromophenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591943

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1077699) is N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OBKIWSDWDJIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1077699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).