1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide

C13H14BrN3O2S — CID 79048786

IUPAC1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1nc(NS(=O)(=O)Cc2cccc(N)c2)ccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)8-10-3-2-4-11(15)7-10/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyAZBAVIQAAGDFDM-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide

1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 79048786) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
PubChem CID79048786
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1nc(NS(=O)(=O)Cc2cccc(N)c2)ccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)8-10-3-2-4-11(15)7-10/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyAZBAVIQAAGDFDM-UHFFFAOYSA-N
XLogP2.68
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
CID 106070390
1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide (CID 79048786) is 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide is Cc1nc(NS(=O)(=O)Cc2cccc(N)c2)ccc1Br.
What is the InChIKey of 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is AZBAVIQAAGDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)8-10-3-2-4-11(15)7-10/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide?
1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 79048786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).