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

C12H13BrN4O2S — CID 83170253

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)ccn1
InChIInChI=1S/C12H13BrN4O2S/c1-8-5-9(13)7-16-12(8)17-20(18,19)10-3-4-15-11(6-10)14-2/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPICOELZMMGYRJH-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.39
Rot. Bonds4

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

N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 83170253) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID83170253
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)ccn1
InChIInChI=1S/C12H13BrN4O2S/c1-8-5-9(13)7-16-12(8)17-20(18,19)10-3-4-15-11(6-10)14-2/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyPICOELZMMGYRJH-UHFFFAOYSA-N
XLogP2.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 81422727
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide (CID 83170253) is N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)ccn1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is PICOELZMMGYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-8-5-9(13)7-16-12(8)17-20(18,19)10-3-4-15-11(6-10)14-2/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 83170253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).