N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide

C11H18N2O3S — CID 114138792

IUPACN-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O3S/c1-12-8-3-9-17(14,15)13-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyVMLXGCYSEYGXJZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.05
Rot. Bonds7

About N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide

N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 114138792) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID114138792
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O3S/c1-12-8-3-9-17(14,15)13-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyVMLXGCYSEYGXJZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide (CID 114138792) is N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is VMLXGCYSEYGXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12-8-3-9-17(14,15)13-10-4-6-11(16-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide?
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 114138792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).