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71215-96-8 | Carbamic chloride, methyl(4-(((4-methylphenyl)sulfonyl)amino)-2-((methyl(trifluoroacetyl)amino)methyl)phenyl)-
CAS No: 71215-96-8 Catalog No: AG005K95 MDL No:
Product Description
Catalog Number:
AG005K95
Chemical Name:
Carbamic chloride, methyl(4-(((4-methylphenyl)sulfonyl)amino)-2-((methyl(trifluoroacetyl)amino)methyl)phenyl)-
CAS Number:
71215-96-8
Molecular Formula:
C19H19ClF3N3O4S
Molecular Weight:
477.8851
IUPAC Name:
N-methyl-N-[4-[(4-methylphenyl)sulfonylamino]-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]carbamoyl chloride
InChI:
InChI=1S/C19H19ClF3N3O4S/c1-12-4-7-15(8-5-12)31(29,30)24-14-6-9-16(26(3)18(20)28)13(10-14)11-25(2)17(27)19(21,22)23/h4-10,24H,11H2,1-3H3
InChI Key:
UNOYQELXGALVLI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)CN(C(=O)C(F)(F)F)C)N(C(=O)Cl)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.074g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.883g/mol
Monoisotopic Mass:
477.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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