N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C18H26ClN3O2S — CID 120895835

IUPACN-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-20(2)17-8-10-18(11-9-17)24(22,23)21(15-13-19)14-12-16-6-4-3-5-7-16;/h3-11H,12-15,19H2,1-2H3;1H
InChIKeyXAFDREYRVKRABV-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.37
Rot. Bonds8

About N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895835) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895835
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC NameN-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-20(2)17-8-10-18(11-9-17)24(22,23)21(15-13-19)14-12-16-6-4-3-5-7-16;/h3-11H,12-15,19H2,1-2H3;1H
InChIKeyXAFDREYRVKRABV-UHFFFAOYSA-N
XLogP2.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
N-(2-aminoethyl)-N-(2-phenylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120895889
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
N-(2-aminoethyl)-3-methoxy-4-nitro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895647
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895835) is N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is CN(C)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is XAFDREYRVKRABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-20(2)17-8-10-18(11-9-17)24(22,23)21(15-13-19)14-12-16-6-4-3-5-7-16;/h3-11H,12-15,19H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).