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

C16H18ClFN2O2S — CID 120895674

IUPACN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O2S/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
InChIKeyRDYJRWWBRRFAAX-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.67
Rot. Bonds7

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

N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 120895674) has the molecular formula C16H18ClFN2O2S and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID120895674
Molecular FormulaC16H18ClFN2O2S
Molecular Weight356.85 g/mol
Exact Mass356.08
IUPAC NameN-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O2S/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
InChIKeyRDYJRWWBRRFAAX-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.67
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;hydrochloride
CID 120895673
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895699
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)-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)-2-fluoro-6-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 120895678
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 120895656
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate
CID 120895887

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 120895674) is N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide is NCCN(CCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is RDYJRWWBRRFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2S/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.
What are the key properties of N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 356.85 g/mol, XLogP of 2.67, 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 is sourced from PubChem (CID 120895674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).