3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide

C13H20N2O4S — CID 43610677

IUPAC3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCOCC2)cc1N
InChIInChI=1S/C13H20N2O4S/c1-15(10-5-7-19-8-6-10)20(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyMHQVAVIXAKCUDL-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.08
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide

3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43610677) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43610677
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCOCC2)cc1N
InChIInChI=1S/C13H20N2O4S/c1-15(10-5-7-19-8-6-10)20(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyMHQVAVIXAKCUDL-UHFFFAOYSA-N
XLogP1.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-methoxy-N-methyl-N-(oxan-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

3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
3-(hydroxymethyl)-4-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744468
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610678
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide
CID 82898941
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 43610677) is 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCOCC2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is MHQVAVIXAKCUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-15(10-5-7-19-8-6-10)20(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43610677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).