N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide

C12H15N5O2S — CID 53328967

IUPACN-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCNc1cc(Nc2cccc(S(=O)(=O)NC)c2)ncn1
InChIInChI=1S/C12H15N5O2S/c1-13-11-7-12(16-8-15-11)17-9-4-3-5-10(6-9)20(18,19)14-2/h3-8,14H,1-2H3,(H2,13,15,16,17)
InChIKeyZFRWTARQXYQIQV-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide

N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 53328967) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID53328967
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCNc1cc(Nc2cccc(S(=O)(=O)NC)c2)ncn1
InChIInChI=1S/C12H15N5O2S/c1-13-11-7-12(16-8-15-11)17-9-4-3-5-10(6-9)20(18,19)14-2/h3-8,14H,1-2H3,(H2,13,15,16,17)
InChIKeyZFRWTARQXYQIQV-UHFFFAOYSA-N
XLogP1.17
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide 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

Sulfamethazine
CID 5327
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfisomidine
CID 5343
Sulfaperin
CID 68933
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
Ro 04-6790
CID 5312145
Sulfamerazine Sodium
CID 15899899

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide (CID 53328967) is N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide is CNc1cc(Nc2cccc(S(=O)(=O)NC)c2)ncn1.
What is the InChIKey of N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is ZFRWTARQXYQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-13-11-7-12(16-8-15-11)17-9-4-3-5-10(6-9)20(18,19)14-2/h3-8,14H,1-2H3,(H2,13,15,16,17).
What are the key properties of N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide?
N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[6-(methylamino)pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 53328967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).