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

C12H14N4O4S — CID 5323

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IUPAC4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyZZORFUFYDOWNEF-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.88
Rot. Bonds5

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

4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide (PubChem CID 5323) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
PubChem CID5323
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
InChIInChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyZZORFUFYDOWNEF-UHFFFAOYSA-N
XLogP0.88
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Sulfadoxine
CID 17134
Sulfamonomethoxine
CID 5332
Sulfametomidine
CID 19596
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
Sulfamonomethoxine Sodium
CID 656643

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide (CID 5323) is 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1.
What is the InChIKey of 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
The InChIKey is ZZORFUFYDOWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 5323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).