4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide

C13H22N2O4S — CID 102701447

IUPAC4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1OC
InChIInChI=1S/C13H22N2O4S/c1-10(18-3)8-15-20(16,17)12-5-6-13(19-4)11(7-12)9-14-2/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeySZZDELXGPPCGAY-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds8

About 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide

4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 102701447) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID102701447
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1OC
InChIInChI=1S/C13H22N2O4S/c1-10(18-3)8-15-20(16,17)12-5-6-13(19-4)11(7-12)9-14-2/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeySZZDELXGPPCGAY-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
4-methoxy-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080152
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
3-(aminomethyl)-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077662
3-(aminomethyl)-4-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050652
4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 102701601
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (CID 102701447) is 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NCC(C)OC)ccc1OC.
What is the InChIKey of 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SZZDELXGPPCGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(18-3)8-15-20(16,17)12-5-6-13(19-4)11(7-12)9-14-2/h5-7,10,14-15H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102701447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).