4-amino-N-pyrimidin-2-ylbenzenesulfonamide

C10H10N4O2S — CID 5215

💊View drug profile → sulfadiazine
IUPAC4-amino-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeySEEPANYCNGTZFQ-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.86
Rot. Bonds3

About 4-amino-N-pyrimidin-2-ylbenzenesulfonamide

4-amino-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 5215) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-amino-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID5215
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-amino-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeySEEPANYCNGTZFQ-UHFFFAOYSA-N
XLogP0.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-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

Related Compounds

Sulfamethazine
CID 5327
Sulfameter
CID 5326
Sulfapyridine
CID 5336
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide (CID 5215) is 4-amino-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is SEEPANYCNGTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14).
What are the key properties of 4-amino-N-pyrimidin-2-ylbenzenesulfonamide?
4-amino-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 5215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).