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

C13H14BrN3O2S2 — CID 62164045

IUPAC5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1cccc(SC)c1
InChIInChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-9(14)8-16-13)21(18,19)17-10-4-3-5-11(7-10)20-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyWOLCKLLZHZLXDM-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.41
Rot. Bonds5

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

5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (PubChem CID 62164045) has the molecular formula C13H14BrN3O2S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
PubChem CID62164045
Molecular FormulaC13H14BrN3O2S2
Molecular Weight388.31 g/mol
Exact Mass386.97
IUPAC Name5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1cccc(SC)c1
InChIInChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-9(14)8-16-13)21(18,19)17-10-4-3-5-11(7-10)20-2/h3-8,17H,1-2H3,(H,15,16)
InChIKeyWOLCKLLZHZLXDM-UHFFFAOYSA-N
XLogP3.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143306
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
5-bromo-N-(3-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298536
2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
CID 62164043
5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (CID 62164045) is 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1cccc(SC)c1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The InChIKey is WOLCKLLZHZLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S2/c1-15-13-12(6-9(14)8-16-13)21(18,19)17-10-4-3-5-11(7-10)20-2/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide has a molecular weight of 388.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62164045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).