N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide

C13H14BrN3O2S — CID 103304876

IUPACN-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C13H14BrN3O2S/c1-9-5-6-10(14)8-12(9)17-20(18,19)13-11(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3
InChIKeyIQRIGFZFJQNCQZ-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.00
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide

N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide (PubChem CID 103304876) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
PubChem CID103304876
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
SMILESCNc1cccnc1S(=O)(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C13H14BrN3O2S/c1-9-5-6-10(14)8-12(9)17-20(18,19)13-11(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3
InChIKeyIQRIGFZFJQNCQZ-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-(5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304023
3-amino-N-(5-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 103304878
N-(4-bromo-5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103307734
3-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-sulfonamide
CID 103303080
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304016
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
3-(methylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303450
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(4,6-dimethylpyrimidin-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303013
N-(3-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047
N-(2,4-difluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304009

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide (CID 103304876) is N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide is CNc1cccnc1S(=O)(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
The InChIKey is IQRIGFZFJQNCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9-5-6-10(14)8-12(9)17-20(18,19)13-11(15-2)4-3-7-16-13/h3-8,15,17H,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide?
N-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-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-(5-bromo-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103304876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).