N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride

C17H22Cl2N2O2S — CID 120895321

IUPACN-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O2S.ClH/c18-17-9-5-4-8-16(17)14-23(21,22)20(13-11-19)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,19H2;1H
InChIKeyZXAHJMYLUAFGIB-UHFFFAOYSA-N
MW389.35 g/mol
LogP3.10
Rot. Bonds8

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

N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride (PubChem CID 120895321) has the molecular formula C17H22Cl2N2O2S and a molecular weight of 389.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
PubChem CID120895321
Molecular FormulaC17H22Cl2N2O2S
Molecular Weight389.35 g/mol
Exact Mass388.08
IUPAC NameN-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O2S.ClH/c18-17-9-5-4-8-16(17)14-23(21,22)20(13-11-19)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,19H2;1H
InChIKeyZXAHJMYLUAFGIB-UHFFFAOYSA-N
XLogP3.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-1-(4-bromophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895557
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 120895674
N-(2-aminoethyl)-N-(2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120895456
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
1-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)methanesulfonamide
CID 17257633
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride (CID 120895321) is N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride is Cl.NCCN(CCc1ccccc1)S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The InChIKey is ZXAHJMYLUAFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S.ClH/c18-17-9-5-4-8-16(17)14-23(21,22)20(13-11-19)12-10-15-6-2-1-3-7-15;/h1-9H,10-14,19H2;1H.
What are the key properties of N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride has a molecular weight of 389.35 g/mol, XLogP of 3.10, 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-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120895321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).