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

C14H19ClN2O3S — CID 1081267

IUPACN-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-12(15)3-4-13(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)
InChIKeyBURXMECDNDNXGQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.26
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081267) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081267
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-9-12(15)3-4-13(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)
InChIKeyBURXMECDNDNXGQ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 1081267) is N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BURXMECDNDNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-9-12(15)3-4-13(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-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-chloro-2-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-(4-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).