N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C14H19ClN2O3S — CID 17469903

IUPACN-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)16-14(18)11-5-7-17(8-6-11)21(2,19)20/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyCTPSMCHXMSFOHB-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.26
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17469903) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17469903
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)16-14(18)11-5-7-17(8-6-11)21(2,19)20/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyCTPSMCHXMSFOHB-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 26264234
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(2-chloro-4-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384722
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 26052656
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 17469903) is N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is CTPSMCHXMSFOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)16-14(18)11-5-7-17(8-6-11)21(2,19)20/h3-4,9,11H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17469903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).