N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide

C14H13BrN2O3S — CID 79041374

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-9-12(15)6-7-13(16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWRWKCTSAQPXQBU-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.81
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide (PubChem CID 79041374) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
PubChem CID79041374
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
SMILESCc1nc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-9-12(15)6-7-13(16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,16,17,18)
InChIKeyWRWKCTSAQPXQBU-UHFFFAOYSA-N
XLogP2.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79116772
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-bromo-3-methylsulfonylbenzamide
CID 174925666

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide (CID 79041374) is N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide is Cc1nc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
The InChIKey is WRWKCTSAQPXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-9-12(15)6-7-13(16-9)17-14(18)10-4-3-5-11(8-10)21(2,19)20/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide has a molecular weight of 369.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 79041374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).