N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

C16H19Cl2FN2O2S — CID 120895673

IUPACN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O2S.ClH/c17-14-7-4-8-15(16(14)18)23(21,22)20(12-10-19)11-9-13-5-2-1-3-6-13;/h1-8H,9-12,19H2;1H
InChIKeyUCMLGMOEDPHFAQ-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.09
Rot. Bonds7

About N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (PubChem CID 120895673) has the molecular formula C16H19Cl2FN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
PubChem CID120895673
Molecular FormulaC16H19Cl2FN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.05
IUPAC NameN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O2S.ClH/c17-14-7-4-8-15(16(14)18)23(21,22)20(12-10-19)11-9-13-5-2-1-3-6-13;/h1-8H,9-12,19H2;1H
InChIKeyUCMLGMOEDPHFAQ-UHFFFAOYSA-N
XLogP3.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 120895674
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895699
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N-(2-aminoethyl)-1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 120895321
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-2-fluoro-6-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 120895678
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride (CID 120895673) is N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is Cl.NCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UCMLGMOEDPHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2S.ClH/c17-14-7-4-8-15(16(14)18)23(21,22)20(12-10-19)11-9-13-5-2-1-3-6-13;/h1-8H,9-12,19H2;1H.
What are the key properties of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 393.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120895673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).