(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide

C22H27Cl2N3O3S — CID 100778503

IUPAC(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H27Cl2N3O3S/c1-15-9-10-17(31(29,30)26(2)3)12-21(15)25-22(28)16-6-5-11-27(13-16)14-18-19(23)7-4-8-20(18)24/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyMJUOWGUMTCDBAY-INIZCTEOSA-N
MW484.45 g/mol
LogP4.40
Rot. Bonds6

About (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide (PubChem CID 100778503) has the molecular formula C22H27Cl2N3O3S and a molecular weight of 484.45 g/mol. Its IUPAC name is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
PubChem CID100778503
Molecular FormulaC22H27Cl2N3O3S
Molecular Weight484.45 g/mol
Exact Mass483.12
IUPAC Name(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H27Cl2N3O3S/c1-15-9-10-17(31(29,30)26(2)3)12-21(15)25-22(28)16-6-5-11-27(13-16)14-18-19(23)7-4-8-20(18)24/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3,(H,25,28)/t16-/m0/s1
InChIKeyMJUOWGUMTCDBAY-INIZCTEOSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2,4-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778121
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 133163529
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925169
1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159808
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
N-(2-chloro-5-nitrophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926130

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide (CID 100778503) is (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
The InChIKey is MJUOWGUMTCDBAY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27Cl2N3O3S/c1-15-9-10-17(31(29,30)26(2)3)12-21(15)25-22(28)16-6-5-11-27(13-16)14-18-19(23)7-4-8-20(18)24/h4,7-10,12,16H,5-6,11,13-14H2,1-3H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide?
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide has a molecular weight of 484.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 100778503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).