4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide

C13H22N2O3S — CID 119964849

IUPAC4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H22N2O3S/c1-10-9-13(11(2)8-12(10)18-4)19(16,17)15-7-5-6-14-3/h8-9,14-15H,5-7H2,1-4H3
InChIKeyCJOAKQSNQBLXDW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.20
Rot. Bonds7

About 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide

4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 119964849) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID119964849
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C13H22N2O3S/c1-10-9-13(11(2)8-12(10)18-4)19(16,17)15-7-5-6-14-3/h8-9,14-15H,5-7H2,1-4H3
InChIKeyCJOAKQSNQBLXDW-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.20
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

4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
4-methoxy-2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 51121163
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197692
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide (CID 119964849) is 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is CJOAKQSNQBLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-9-13(11(2)8-12(10)18-4)19(16,17)15-7-5-6-14-3/h8-9,14-15H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 119964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).