N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C14H26ClN3O2S — CID 120895421

IUPACN'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CC)S(=O)(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-16(4-2)20(18,19)17(13-11-15)12-10-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,15H2,1-2H3;1H
InChIKeyVBUDDSFNNYMEDR-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.50
Rot. Bonds9

About N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120895421) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120895421
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC NameN'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CC)S(=O)(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-3-16(4-2)20(18,19)17(13-11-15)12-10-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,15H2,1-2H3;1H
InChIKeyVBUDDSFNNYMEDR-UHFFFAOYSA-N
XLogP1.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride
CID 120895629
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
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)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557

Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120895421) is N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is CCN(CC)S(=O)(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is VBUDDSFNNYMEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-3-16(4-2)20(18,19)17(13-11-15)12-10-14-8-6-5-7-9-14;/h5-9H,3-4,10-13,15H2,1-2H3;1H.
What are the key properties of N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120895421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).