4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide

C12H14N4O3S — CID 19596

💊View drug profile → sulfametomidine
IUPAC4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQKLSCPPJEVXONT-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.18
Rot. Bonds4

About 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide

4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 19596) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
PubChem CID19596
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQKLSCPPJEVXONT-UHFFFAOYSA-N
XLogP1.18
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)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

Sulfadimethoxine
CID 5323
Sulfadoxine
CID 17134
Sulfamonomethoxine
CID 5332
Sulfisomidine
CID 5343
N-(4-(((4,6-Dimethoxy-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide
CID 168167
N4-Acetylsulfadimethoxine
CID 473359
Sulphamoprine
CID 94924
4-{[4-Amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 5329599
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
4-((4-(((2,6-Dimethoxy-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxoisocrotonic acid
CID 5762148
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-succinamic acid
CID 3122824

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide (CID 19596) is 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.
What is the InChIKey of 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is QKLSCPPJEVXONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 19596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).