N-((1S,2S)-2-Amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide

Catalog Number	ACM167316270-1
CAS	167316-27-0
Structure
Synonyms	(1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine; (S,S)-TSDPEN
IUPAC Name	N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
Molecular Weight	366.48
Molecular Formula	C21H22N2O2S
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N
InChI	UOPFIWYXBIHPIP-SFTDATJTSA-N
InChI Key	InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1
Boiling Point	537.3 °C at 760 mmHg
Melting Point	128-131 °C-lit.
Purity	98%
Appearance	White to slightly yellow crystalline powder
Exact Mass	366.14019912
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N
Monoisotopic Mass	366.14019912
Rotatable Bond Count	6
Topological Polar Surface Area	80.6 Ų