4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane

C15H20N4O5S — CID 139062154

IUPAC4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane
SMILESC1COCCO1.COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
InChIInChI=1S/C11H12N4O3S.C4H8O2/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;1-2-6-4-3-5-1/h2-7H,12H2,1H3,(H,13,14,15);1-4H2
InChIKeyFXOBGPFQTSMDDU-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane

4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane (PubChem CID 139062154) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane.

Molecular Properties

Compound Name4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane
PubChem CID139062154
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane
SMILESC1COCCO1.COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
InChIInChI=1S/C11H12N4O3S.C4H8O2/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;1-2-6-4-3-5-1/h2-7H,12H2,1H3,(H,13,14,15);1-4H2
InChIKeyFXOBGPFQTSMDDU-UHFFFAOYSA-N
XLogP0.90
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane?
The IUPAC name of 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane (CID 139062154) is 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane.
What is the SMILES notation for 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane?
The canonical SMILES for 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane is C1COCCO1.COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1.
What is the InChIKey of 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane?
The InChIKey is FXOBGPFQTSMDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S.C4H8O2/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10;1-2-6-4-3-5-1/h2-7H,12H2,1H3,(H,13,14,15);1-4H2.
What are the key properties of 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane?
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane has a molecular weight of 368.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;1,4-dioxane is sourced from PubChem (CID 139062154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).