N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide

C13H20N2O3S — CID 55037574

IUPACN-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)C2CCOCC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-12(14)13(8-10(9)2)15-19(16,17)11-3-5-18-6-4-11/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyQIXDLWWNEDWLPA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.81
Rot. Bonds3

About N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide

N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide (PubChem CID 55037574) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
PubChem CID55037574
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)C2CCOCC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-9-7-12(14)13(8-10(9)2)15-19(16,17)11-3-5-18-6-4-11/h7-8,11,15H,3-6,14H2,1-2H3
InChIKeyQIXDLWWNEDWLPA-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,4-dimethylphenyl)cyclopropanesulfonamide
CID 104757256
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
2-methyl-6-(oxan-4-ylsulfonylamino)benzenecarbothioamide
CID 107799054
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563
N-(4-hydroxy-2,5-dimethylphenyl)cyclopropanesulfonamide
CID 106831887
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopentanesulfonamide
CID 105360587
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide (CID 55037574) is N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide is Cc1cc(N)c(NS(=O)(=O)C2CCOCC2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide?
The InChIKey is QIXDLWWNEDWLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-12(14)13(8-10(9)2)15-19(16,17)11-3-5-18-6-4-11/h7-8,11,15H,3-6,14H2,1-2H3.
What are the key properties of N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide?
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide is sourced from PubChem (CID 55037574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).