4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide

C13H22N2O4S — CID 43605995

IUPAC4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O4S/c1-10-8-11(18-3)12(19-4)9-13(10)20(16,17)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyFPWWQEVFCQZDAR-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.90
Rot. Bonds8

About 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide

4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43605995) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43605995
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O4S/c1-10-8-11(18-3)12(19-4)9-13(10)20(16,17)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3
InChIKeyFPWWQEVFCQZDAR-UHFFFAOYSA-N
XLogP0.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43605995) is 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is FPWWQEVFCQZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10-8-11(18-3)12(19-4)9-13(10)20(16,17)15-7-5-6-14-2/h8-9,14-15H,5-7H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide?
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43605995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).