2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

C13H14BrN3O2S — CID 62145809

IUPAC2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H14BrN3O2S/c1-9-4-2-3-5-10(9)7-17-20(18,19)12-6-11(14)8-16-13(12)15/h2-6,8,17H,7H2,1H3,(H2,15,16)
InChIKeySQIFAPYDMBRJSH-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 62145809) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID62145809
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H14BrN3O2S/c1-9-4-2-3-5-10(9)7-17-20(18,19)12-6-11(14)8-16-13(12)15/h2-6,8,17H,7H2,1H3,(H2,15,16)
InChIKeySQIFAPYDMBRJSH-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
CID 62157635
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide (CID 62145809) is 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SQIFAPYDMBRJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9-4-2-3-5-10(9)7-17-20(18,19)12-6-11(14)8-16-13(12)15/h2-6,8,17H,7H2,1H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62145809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).