N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide

C14H13F3N2O2S — CID 97238577

IUPACN-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
SMILESN[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F3N2O2S/c15-11-6-10(7-12(16)14(11)17)22(20,21)19-8-13(18)9-4-2-1-3-5-9/h1-7,13,19H,8,18H2/t13-/m1/s1
InChIKeyYWVUQVKSDQTDOK-CYBMUJFWSA-N
MW330.33 g/mol
LogP2.08
Rot. Bonds5

About N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide

N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide (PubChem CID 97238577) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
PubChem CID97238577
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
SMILESN[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F3N2O2S/c15-11-6-10(7-12(16)14(11)17)22(20,21)19-8-13(18)9-4-2-1-3-5-9/h1-7,13,19H,8,18H2/t13-/m1/s1
InChIKeyYWVUQVKSDQTDOK-CYBMUJFWSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)-2-fluoro-6-nitrobenzenesulfonamide
CID 84591509
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
CID 124687144
N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 97238560
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide (CID 97238577) is N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide is N[C@H](CNS(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide?
The InChIKey is YWVUQVKSDQTDOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-11-6-10(7-12(16)14(11)17)22(20,21)19-8-13(18)9-4-2-1-3-5-9/h1-7,13,19H,8,18H2/t13-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide?
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 97238577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).