2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide

C12H14N4O2S — CID 69387275

IUPAC2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(N)c1
InChIInChI=1S/C12H14N4O2S/c1-8-6-9(2)11(10(13)7-8)19(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyIMSKSJKAEYLZJH-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide

2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 69387275) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID69387275
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(N)c1
InChIInChI=1S/C12H14N4O2S/c1-8-6-9(2)11(10(13)7-8)19(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyIMSKSJKAEYLZJH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide (CID 69387275) is 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ncccn2)c(N)c1.
What is the InChIKey of 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is IMSKSJKAEYLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-6-9(2)11(10(13)7-8)19(17,18)16-12-14-4-3-5-15-12/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide?
2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide 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 2-amino-4,6-dimethyl-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 69387275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).