4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride

C12H22ClN3O4S2 — CID 120825045

IUPAC4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-10(13-2)9-14-20(16,17)11-5-7-12(8-6-11)21(18,19)15(3)4;/h5-8,10,13-14H,9H2,1-4H3;1H
InChIKeyALOSKPLXEAMWIZ-UHFFFAOYSA-N
MW371.91 g/mol
LogP0.24
Rot. Bonds7

About 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride

4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride (PubChem CID 120825045) has the molecular formula C12H22ClN3O4S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
PubChem CID120825045
Molecular FormulaC12H22ClN3O4S2
Molecular Weight371.91 g/mol
Exact Mass371.07
IUPAC Name4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-10(13-2)9-14-20(16,17)11-5-7-12(8-6-11)21(18,19)15(3)4;/h5-8,10,13-14H,9H2,1-4H3;1H
InChIKeyALOSKPLXEAMWIZ-UHFFFAOYSA-N
XLogP0.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
N-[2-(methylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120824647
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride (CID 120825045) is 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1.Cl.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride?
The InChIKey is ALOSKPLXEAMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2.ClH/c1-10(13-2)9-14-20(16,17)11-5-7-12(8-6-11)21(18,19)15(3)4;/h5-8,10,13-14H,9H2,1-4H3;1H.
What are the key properties of 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride?
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride is sourced from PubChem (CID 120825045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).