4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

C11H18N2O3S — CID 119972995

IUPAC4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C11H18N2O3S/c1-9-8-10(16-3)4-5-11(9)17(14,15)13-7-6-12-2/h4-5,8,12-13H,6-7H2,1-3H3
InChIKeyYOBLVEGTAYXNBX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.50
Rot. Bonds6

About 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 119972995) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID119972995
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(OC)cc1C
InChIInChI=1S/C11H18N2O3S/c1-9-8-10(16-3)4-5-11(9)17(14,15)13-7-6-12-2/h4-5,8,12-13H,6-7H2,1-3H3
InChIKeyYOBLVEGTAYXNBX-UHFFFAOYSA-N
XLogP0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.50
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

5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
CID 86974941
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 119972995) is 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is YOBLVEGTAYXNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-8-10(16-3)4-5-11(9)17(14,15)13-7-6-12-2/h4-5,8,12-13H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 119972995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).