AG003BID

187324-64-7 | N-Benzyl-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide

AG003BID

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CAS Number	187324-64-7
Catalog Number	AG003BID(AGN-PC-0QGFG3)
Chemical Name	N-Benzyl-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
IUPAC Name	N-benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChI	InChI=1S/C25H29NO3S/c1-18-15-19(2)25(20(3)16-18)30(28,29)26(17-22-11-7-5-8-12-22)21(4)24(27)23-13-9-6-10-14-23/h5-16,21,24,27H,17H2,1-4H3/t21-,24-/m1/s1
InChI Key	ZPERKXJNXPLVAC-ZJSXRUAMSA-N
MDL Number	MFCD02093447
Molecular Formula	C25H29NO3S
Molecular Weight	423.5677
SMILES	C(C1=CC=CC=C1)N(S(=O)(=O)C1=C(C=C(C=C1C)C)C)[C@@H]([C@H](C1=CC=CC=C1)O)C
Synonyms	187324-64-7, (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol, N-Benzyl-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide, Benzenesulfonamide,N-[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]-2,4,6-trimethyl-N-(phenylmethyl)-, PubChem11690, SCHEMBL13898333, CTK4D9503, DTXSID30659868, KS-000013UC, ZINC2576955, ANW-23334, MFCD02093447, AKOS015839233, RTR-008661, AK305769, CC-00264, AB1011185, TR-008661, FT-0604008, C-22118, J-012056, (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol, N-Benzyl-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzene-1-sulfonamide, (1S,2R)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol; (1S,2R)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, ZPERKXJNXPLVAC-ZJSXRUAMSA-N, CB10730, B2104, N-[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]-2,4,6-trimethyl-N-(phenylmethyl)Benzenesulfonamide,

Complexity	607
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	423.187g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	423.571g/mol
Monoisotopic Mass	423.187g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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