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

C12H21ClN2O2S — CID 120824457

IUPAC3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-12(7-10(9)2)17(15,16)14-8-11(3)13-4;/h5-7,11,13-14H,8H2,1-4H3;1H
InChIKeyRZNMXTSYQHMUIK-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.61
Rot. Bonds5

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

3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824457) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824457
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-9-5-6-12(7-10(9)2)17(15,16)14-8-11(3)13-4;/h5-7,11,13-14H,8H2,1-4H3;1H
InChIKeyRZNMXTSYQHMUIK-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
CID 64640027
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110279875

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824457) is 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(C)c(C)c1.Cl.
What is the InChIKey of 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is RZNMXTSYQHMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-9-5-6-12(7-10(9)2)17(15,16)14-8-11(3)13-4;/h5-7,11,13-14H,8H2,1-4H3;1H.
What are the key properties of 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).