N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide

C13H14BrN3O2S — CID 62149915

IUPACN-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H14BrN3O2S/c1-9-8-10(5-6-11(9)14)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyZPINPBUGXUAKSI-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.00
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide

N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62149915) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62149915
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C13H14BrN3O2S/c1-9-8-10(5-6-11(9)14)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyZPINPBUGXUAKSI-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
N-(2-bromo-5-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81274698
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
2-(methylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62144229
N-(3-chloro-4-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62164737
N-(4-bromo-2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62142676
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
N-(6-methoxy-3-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62150607
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-sulfonamide
CID 55130880
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62149915) is N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ZPINPBUGXUAKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9-8-10(5-6-11(9)14)17-20(18,19)12-4-3-7-16-13(12)15-2/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62149915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).