N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide

C14H13ClN2O3S — CID 107301164

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H13ClN2O3S/c1-9-12(6-7-13(15)16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,17,18)
InChIKeyUHDKRFVMEOLXPG-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.70
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide

N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide (PubChem CID 107301164) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
PubChem CID107301164
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H13ClN2O3S/c1-9-12(6-7-13(15)16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,17,18)
InChIKeyUHDKRFVMEOLXPG-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylsulfonylbenzamide
CID 102979236
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 79041374
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 107301415
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide (CID 107301164) is N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide is Cc1nc(Cl)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide?
The InChIKey is UHDKRFVMEOLXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-12(6-7-13(15)16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide has a molecular weight of 324.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 107301164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).