N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C17H21ClF2N2O2S — CID 120895249

IUPACN-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(F)cc1F.Cl
InChIInChI=1S/C17H20F2N2O2S.ClH/c1-13-11-17(16(19)12-15(13)18)24(22,23)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-12H,7-10,20H2,1H3;1H
InChIKeyAOQGDTYEVSGPGW-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.89
Rot. Bonds7

About N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895249) has the molecular formula C17H21ClF2N2O2S and a molecular weight of 390.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895249
Molecular FormulaC17H21ClF2N2O2S
Molecular Weight390.88 g/mol
Exact Mass390.10
IUPAC NameN-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(F)cc1F.Cl
InChIInChI=1S/C17H20F2N2O2S.ClH/c1-13-11-17(16(19)12-15(13)18)24(22,23)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-12H,7-10,20H2,1H3;1H
InChIKeyAOQGDTYEVSGPGW-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895705
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 120895674
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895699
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate
CID 120895887
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-fluorobenzoate
CID 120895566

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895249) is N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(F)cc1F.Cl.
What is the InChIKey of N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is AOQGDTYEVSGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S.ClH/c1-13-11-17(16(19)12-15(13)18)24(22,23)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-12H,7-10,20H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).