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

C12H12Br2N4O2S — CID 79736645

IUPAC5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C12H12Br2N4O2S/c1-7-3-11(16-6-9(7)14)18-21(19,20)10-4-8(13)5-17-12(10)15-2/h3-6H,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRRNHCPOFBXSBQ-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.15
Rot. Bonds4

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

5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 79736645) has the molecular formula C12H12Br2N4O2S and a molecular weight of 436.13 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID79736645
Molecular FormulaC12H12Br2N4O2S
Molecular Weight436.13 g/mol
Exact Mass433.90
IUPAC Name5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C12H12Br2N4O2S/c1-7-3-11(16-6-9(7)14)18-21(19,20)10-4-8(13)5-17-12(10)15-2/h3-6H,1-2H3,(H,15,17)(H,16,18)
InChIKeyCRRNHCPOFBXSBQ-UHFFFAOYSA-N
XLogP3.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
5-bromo-N-(2-bromo-4-chlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 81280690
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 65498877
5-bromo-N-(4-fluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143306
5-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 65480779
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide (CID 79736645) is 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is CRRNHCPOFBXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O2S/c1-7-3-11(16-6-9(7)14)18-21(19,20)10-4-8(13)5-17-12(10)15-2/h3-6H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 436.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79736645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).