1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

C13H17ClN2O3S — CID 847801

IUPAC1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O3S/c14-12-4-2-1-3-11(12)9-20(18,19)16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17)
InChIKeyIJXMTWKWYJBSMP-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.37
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 847801) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID847801
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O3S/c14-12-4-2-1-3-11(12)9-20(18,19)16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17)
InChIKeyIJXMTWKWYJBSMP-UHFFFAOYSA-N
XLogP1.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chlorobenzyl)sulfonyl]piperidine
CID 714986
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
Piperidine, 1-[[(2-chlorophenyl)methyl]sulfonyl]-4-methyl-
CID 715211
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
Methyl 1-((2-chlorobenzyl)sulfonyl)piperidine-4-carboxylate
CID 2988681
N-(2-chloro-4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3236011
1-(benzylsulfonyl)-N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}piperidine-4-carboxamide
CID 16016466
1-[2-(2-Chloro-benzylsulfanyl)-acetyl]-piperidine-4-carboxylic acid amide
CID 654242
N-(2,4-dichlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081272
N-(2-chlorobenzyl)-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3243767
N-(2-chloro-4-fluorobenzyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3244069

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 847801) is 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is IJXMTWKWYJBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-12-4-2-1-3-11(12)9-20(18,19)16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17).
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 847801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).