2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide

C13H11BrN2O3S — CID 103756372

IUPAC2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C13H11BrN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)
InChIKeyWUTHHQNVDZMAKB-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.50
Rot. Bonds3

About 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide

2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 103756372) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID103756372
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C13H11BrN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17)
InChIKeyWUTHHQNVDZMAKB-UHFFFAOYSA-N
XLogP2.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.50
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

2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide (CID 103756372) is 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is WUTHHQNVDZMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)9-6-7-15-12(14)8-9/h2-8H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide?
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103756372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).