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

C13H13Br2N3O2S — CID 62163010

IUPAC5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H13Br2N3O2S/c1-8-5-9(14)3-4-11(8)18-21(19,20)12-6-10(15)7-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17)
InChIKeySKTBMBATKTYLFL-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62163010) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62163010
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H13Br2N3O2S/c1-8-5-9(14)3-4-11(8)18-21(19,20)12-6-10(15)7-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17)
InChIKeySKTBMBATKTYLFL-UHFFFAOYSA-N
XLogP3.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645
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
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 65480779
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-bromo-N-(3-methoxyphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144727
5-bromo-2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 62164045
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide (CID 62163010) is 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is SKTBMBATKTYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-8-5-9(14)3-4-11(8)18-21(19,20)12-6-10(15)7-17-13(12)16-2/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62163010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).