N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride

C17H22BrClN2O2S — CID 120895557

IUPACN-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2S.ClH/c18-17-8-6-16(7-9-17)14-23(21,22)20(13-11-19)12-10-15-4-2-1-3-5-15;/h1-9H,10-14,19H2;1H
InChIKeyPDWVCEMFUCKZFA-UHFFFAOYSA-N
MW433.80 g/mol
LogP3.20
Rot. Bonds8

About N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride

N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride (PubChem CID 120895557) has the molecular formula C17H22BrClN2O2S and a molecular weight of 433.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
PubChem CID120895557
Molecular FormulaC17H22BrClN2O2S
Molecular Weight433.80 g/mol
Exact Mass432.03
IUPAC NameN-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2S.ClH/c18-17-8-6-16(7-9-17)14-23(21,22)20(13-11-19)12-10-15-4-2-1-3-5-15;/h1-9H,10-14,19H2;1H
InChIKeyPDWVCEMFUCKZFA-UHFFFAOYSA-N
XLogP3.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895321
N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N'-[methyl(2-methylpropyl)sulfamoyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895741
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride (CID 120895557) is N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride is Cl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The InChIKey is PDWVCEMFUCKZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S.ClH/c18-17-8-6-16(7-9-17)14-23(21,22)20(13-11-19)12-10-15-4-2-1-3-5-15;/h1-9H,10-14,19H2;1H.
What are the key properties of N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride has a molecular weight of 433.80 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120895557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).