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

C18H23ClN2O3S — CID 120895597

IUPAC4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-15(21)17-7-9-18(10-8-17)24(22,23)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,19H2,1H3;1H
InChIKeyXARKVBAZPVTFIZ-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.50
Rot. Bonds8

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

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895597) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895597
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-15(21)17-7-9-18(10-8-17)24(22,23)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,19H2,1H3;1H
InChIKeyXARKVBAZPVTFIZ-UHFFFAOYSA-N
XLogP2.50
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
CID 120895713
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
CID 120895258
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
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-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895597) is 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is CC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is XARKVBAZPVTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-15(21)17-7-9-18(10-8-17)24(22,23)20(14-12-19)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,19H2,1H3;1H.
What are the key properties of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).