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1027345-11-4 | Benzenesulfonamide, 4-[[(1R)-3-(4-morpholinyl)-3-oxo-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]-
CAS No: 1027345-11-4 Catalog No: AG00088O MDL No:
Product Description
Catalog Number:
AG00088O
Chemical Name:
Benzenesulfonamide, 4-[[(1R)-3-(4-morpholinyl)-3-oxo-1-[(phenylthio)methyl]propyl]amino]-3-[(trifluoromethyl)sulfonyl]-
CAS Number:
1027345-11-4
Molecular Formula:
C21H24F3N3O6S3
Molecular Weight:
567.6220
IUPAC Name:
4-[[(2R)-4-morpholin-4-yl-4-oxo-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
InChI:
InChI=1S/C21H24F3N3O6S3/c22-21(23,24)35(29,30)19-13-17(36(25,31)32)6-7-18(19)26-15(14-34-16-4-2-1-3-5-16)12-20(28)27-8-10-33-11-9-27/h1-7,13,15,26H,8-12,14H2,(H2,25,31,32)/t15-/m1/s1
InChI Key:
FVVGOJKXBWLQFS-OAHLLOKOSA-N
SMILES:
O=C(N1CCOCC1)C[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)N)CSc1ccccc1
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
567.078g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
567.613g/mol
Monoisotopic Mass:
567.078g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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