N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C17H21ClF2N2O3S — CID 120895699

IUPACN-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-8-4-5-9-16(15)25(22,23)21(13-11-20)12-10-14-6-2-1-3-7-14;/h1-9,17H,10-13,20H2;1H
InChIKeyPWAJWJINDALTRR-UHFFFAOYSA-N
MW406.88 g/mol
LogP2.90
Rot. Bonds9

About N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895699) has the molecular formula C17H21ClF2N2O3S and a molecular weight of 406.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895699
Molecular FormulaC17H21ClF2N2O3S
Molecular Weight406.88 g/mol
Exact Mass406.09
IUPAC NameN-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-8-4-5-9-16(15)25(22,23)21(13-11-20)12-10-14-6-2-1-3-7-14;/h1-9,17H,10-13,20H2;1H
InChIKeyPWAJWJINDALTRR-UHFFFAOYSA-N
XLogP2.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
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
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886
N-(2-aminoethyl)-N-benzyl-3-chloro-4-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120584247
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-fluorobenzoate
CID 120895566

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895699) is N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is Cl.NCCN(CCc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is PWAJWJINDALTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-8-4-5-9-16(15)25(22,23)21(13-11-20)12-10-14-6-2-1-3-7-14;/h1-9,17H,10-13,20H2;1H.
What are the key properties of N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 406.88 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).