2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide

C11H12BrN5O2S — CID 62157635

IUPAC2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nccc(CNS(=O)(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C11H12BrN5O2S/c1-7-14-3-2-9(17-7)6-16-20(18,19)10-4-8(12)5-15-11(10)13/h2-5,16H,6H2,1H3,(H2,13,15)
InChIKeyWQMWCOGOTYKNON-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62157635) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID62157635
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC Name2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nccc(CNS(=O)(=O)c2cc(Br)cnc2N)n1
InChIInChI=1S/C11H12BrN5O2S/c1-7-14-3-2-9(17-7)6-16-20(18,19)10-4-8(12)5-15-11(10)13/h2-5,16H,6H2,1H3,(H2,13,15)
InChIKeyWQMWCOGOTYKNON-UHFFFAOYSA-N
XLogP1.00
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61125639
2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62145809
2-amino-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126794
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
4-amino-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61126991
2-(aminomethyl)-5-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013682
5-(aminomethyl)-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 106013710
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-bromo-4,6-difluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61066611

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide (CID 62157635) is 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide is Cc1nccc(CNS(=O)(=O)c2cc(Br)cnc2N)n1.
What is the InChIKey of 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is WQMWCOGOTYKNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c1-7-14-3-2-9(17-7)6-16-20(18,19)10-4-8(12)5-15-11(10)13/h2-5,16H,6H2,1H3,(H2,13,15).
What are the key properties of 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62157635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).