1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C14H19ClN2O3S — CID 32680976

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyDNLJCBNZGYVDIV-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide

1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 32680976) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID32680976
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyDNLJCBNZGYVDIV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
methyl 1-(2-chloro-4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 32674219
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-[[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 80546648
1-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834565
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(4-bromo-2-chlorophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816205
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 32680976) is 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is DNLJCBNZGYVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-3-4-13(12(15)9-10)21(19,20)17-7-5-11(6-8-17)14(18)16-2/h3-4,9,11H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 32680976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).