3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C12H21ClN2O4S — CID 120824781

IUPAC3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-9(13-2)8-14-19(15,16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9,13-14H,8H2,1-4H3;1H
InChIKeyVTSGHZAREIVJTJ-UHFFFAOYSA-N
MW324.83 g/mol
LogP1.01
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824781) has the molecular formula C12H21ClN2O4S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824781
Molecular FormulaC12H21ClN2O4S
Molecular Weight324.83 g/mol
Exact Mass324.09
IUPAC Name3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-9(13-2)8-14-19(15,16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9,13-14H,8H2,1-4H3;1H
InChIKeyVTSGHZAREIVJTJ-UHFFFAOYSA-N
XLogP1.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
3,4-dimethoxy-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302868
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120824957
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824781) is 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is VTSGHZAREIVJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S.ClH/c1-9(13-2)8-14-19(15,16)10-5-6-11(17-3)12(7-10)18-4;/h5-7,9,13-14H,8H2,1-4H3;1H.
What are the key properties of 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).