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

C11H12BrN5O2S — CID 79729890

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cn1
InChIInChI=1S/C11H12BrN5O2S/c1-7-3-10(14-6-9(7)12)17-20(18,19)8-4-15-11(13-2)16-5-8/h3-6H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyVPNJJOGZIRRSPW-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.79
Rot. Bonds4

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

N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 79729890) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID79729890
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cn1
InChIInChI=1S/C11H12BrN5O2S/c1-7-3-10(14-6-9(7)12)17-20(18,19)8-4-15-11(13-2)16-5-8/h3-6H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyVPNJJOGZIRRSPW-UHFFFAOYSA-N
XLogP1.79
TPSA96.87 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-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

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyridine-3-sulfonamide
CID 79736645
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 79735958
N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 79736144
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 79729890) is N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is VPNJJOGZIRRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c1-7-3-10(14-6-9(7)12)17-20(18,19)8-4-15-11(13-2)16-5-8/h3-6H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 79729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).