N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide

C11H18N2O4S — CID 63288254

IUPACN-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C11H18N2O4S/c1-16-6-3-7-18(14,15)13-9-4-5-11(17-2)10(12)8-9/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyOFTGWUPQPZRZIH-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.06
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide

N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide (PubChem CID 63288254) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
PubChem CID63288254
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(OC)c(N)c1
InChIInChI=1S/C11H18N2O4S/c1-16-6-3-7-18(14,15)13-9-4-5-11(17-2)10(12)8-9/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyOFTGWUPQPZRZIH-UHFFFAOYSA-N
XLogP1.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide 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

N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
4-(3-methoxypropylsulfonylamino)-2-methylbenzoic acid
CID 55172688
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 63288341
2,5-dimethoxyaniline;3-(hexadecylsulfonylamino)benzoic acid
CID 67685570
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-(3-bromo-4-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106067034

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide (CID 63288254) is N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)Nc1ccc(OC)c(N)c1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is OFTGWUPQPZRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-6-3-7-18(14,15)13-9-4-5-11(17-2)10(12)8-9/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide?
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63288254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).