N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C18H22ClN3O2S — CID 120895705

IUPACN-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-15-7-8-17(14-20)13-18(15)24(22,23)21(12-10-19)11-9-16-5-3-2-4-6-16;/h2-8,13H,9-12,19H2,1H3;1H
InChIKeyHRDZJYUVDZGFNU-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.48
Rot. Bonds7

About N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895705) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895705
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC NameN-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H21N3O2S.ClH/c1-15-7-8-17(14-20)13-18(15)24(22,23)21(12-10-19)11-9-16-5-3-2-4-6-16;/h2-8,13H,9-12,19H2,1H3;1H
InChIKeyHRDZJYUVDZGFNU-UHFFFAOYSA-N
XLogP2.48
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-3,6-dimethyl-2-nitro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895745
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-2,6-dimethyl-4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 120895640
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N-(2-bromoethyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 106441867

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895705) is N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is Cc1ccc(C#N)cc1S(=O)(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is HRDZJYUVDZGFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c1-15-7-8-17(14-20)13-18(15)24(22,23)21(12-10-19)11-9-16-5-3-2-4-6-16;/h2-8,13H,9-12,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).