2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

C17H24ClN3O2S — CID 24838174

IUPAC2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCC(CN(C)C)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-13(12-20(2)3)19-15-6-10-17(11-7-15)23(21,22)16-8-4-14(18)5-9-16;/h4-11,13,19H,12,18H2,1-3H3;1H
InChIKeyXJGNLXPJUNMZQM-UHFFFAOYSA-N
MW369.92 g/mol
LogP2.89
Rot. Bonds6

About 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride

2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (PubChem CID 24838174) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
PubChem CID24838174
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
SMILESCC(CN(C)C)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C17H23N3O2S.ClH/c1-13(12-20(2)3)19-15-6-10-17(11-7-15)23(21,22)16-8-4-14(18)5-9-16;/h4-11,13,19H,12,18H2,1-3H3;1H
InChIKeyXJGNLXPJUNMZQM-UHFFFAOYSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-aminophenyl)sulfonylanilino]ethanol
CID 23067525
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CID 125345696
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
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4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
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4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride (CID 24838174) is 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is CC(CN(C)C)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Cl.
What is the InChIKey of 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
The InChIKey is XJGNLXPJUNMZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c1-13(12-20(2)3)19-15-6-10-17(11-7-15)23(21,22)16-8-4-14(18)5-9-16;/h4-11,13,19H,12,18H2,1-3H3;1H.
What are the key properties of 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride?
2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 24838174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).