N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide

C12H12BrN3O2S — CID 66800730

IUPACN-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
SMILESCNc1ncc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12BrN3O2S/c1-14-12-11(7-9(13)8-15-12)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15)
InChIKeyAXXLFBQGMKLAGX-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.69
Rot. Bonds4

About N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide

N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 66800730) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID66800730
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC NameN-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
SMILESCNc1ncc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12BrN3O2S/c1-14-12-11(7-9(13)8-15-12)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15)
InChIKeyAXXLFBQGMKLAGX-UHFFFAOYSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
CID 66820509
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 64601121
N-[5-bromo-2-(4-oxidothiomorpholin-4-ium-4-yl)-3-pyridinyl]benzenesulfonamide
CID 175101672
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
CID 165374146
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide (CID 66800730) is N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide is CNc1ncc(Br)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is AXXLFBQGMKLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-14-12-11(7-9(13)8-15-12)16-19(17,18)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15).
What are the key properties of N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide?
N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.69, 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-(methylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66800730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).