4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride

C12H22ClN3O4S2 — CID 120875211

IUPAC4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-9-7-11(5-6-12(9)20(16,17)14-3)21(18,19)15(4)10(2)8-13;/h5-7,10,14H,8,13H2,1-4H3;1H
InChIKeyCQLWFITXDJRIGG-UHFFFAOYSA-N
MW371.91 g/mol
LogP0.29
Rot. Bonds6

About 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride

4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride (PubChem CID 120875211) has the molecular formula C12H22ClN3O4S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
PubChem CID120875211
Molecular FormulaC12H22ClN3O4S2
Molecular Weight371.91 g/mol
Exact Mass371.07
IUPAC Name4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C12H21N3O4S2.ClH/c1-9-7-11(5-6-12(9)20(16,17)14-3)21(18,19)15(4)10(2)8-13;/h5-7,10,14H,8,13H2,1-4H3;1H
InChIKeyCQLWFITXDJRIGG-UHFFFAOYSA-N
XLogP0.29
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-N,2-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119982869
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
N-(1-aminopropan-2-yl)-4-fluoro-N-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119982967
N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119982575

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride (CID 120875211) is 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)CN)cc1C.Cl.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride?
The InChIKey is CQLWFITXDJRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2.ClH/c1-9-7-11(5-6-12(9)20(16,17)14-3)21(18,19)15(4)10(2)8-13;/h5-7,10,14H,8,13H2,1-4H3;1H.
What are the key properties of 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride?
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride is sourced from PubChem (CID 120875211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).