4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide

C12H14N4O2S — CID 5343

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IUPAC4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyYZMCKZRAOLZXAZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.48
Rot. Bonds3

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

4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 5343) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
PubChem CID5343
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyYZMCKZRAOLZXAZ-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'}

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Related Compounds

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CID 5327
Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
Sulfamethazine Sodium
CID 13456556
N4-Acetylsulfamethazine
CID 66855
N4-Acetylsulfamerazine
CID 67181
Sulfametomidine
CID 19596
Sulfadiazine Sodium
CID 15899898
Ro 04-6790
CID 5312145
Sulfamerazine Sodium
CID 15899899

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide (CID 5343) is 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.
What is the InChIKey of 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is YZMCKZRAOLZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(2,6-dimethylpyrimidin-4-yl)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-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 5343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).