4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide

C12H14N4O2S — CID 15788206

IUPAC4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESCc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-10-3-5-11(6-4-10)19(13,17)18/h3-7H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyCFIZCTHHFFDVHE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.48
Rot. Bonds3

About 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide

4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 15788206) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID15788206
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESCc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-10-3-5-11(6-4-10)19(13,17)18/h3-7H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyCFIZCTHHFFDVHE-UHFFFAOYSA-N
XLogP1.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2,6-dimethylpyrimidin-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

4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
4-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonamide
CID 631044
3,4-dimethyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297613
4-[(7-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 110435636
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
CID 2873992

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide (CID 15788206) is 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide is Cc1cc(Nc2ccc(S(N)(=O)=O)cc2)nc(C)n1.
What is the InChIKey of 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is CFIZCTHHFFDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-10-3-5-11(6-4-10)19(13,17)18/h3-7H,1-2H3,(H2,13,17,18)(H,14,15,16).
What are the key properties of 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide?
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 15788206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).