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79054-59-4 | N-(1-(BENZENESULFONAMIDO)-2,2,2-TRICHLOROETHYL)BENZAMIDE
CAS No: 79054-59-4 Catalog No: AG0053XH MDL No:
Product Description
Catalog Number:
AG0053XH
Chemical Name:
N-(1-(BENZENESULFONAMIDO)-2,2,2-TRICHLOROETHYL)BENZAMIDE
CAS Number:
79054-59-4
Molecular Formula:
C15H13Cl3N2O3S
Molecular Weight:
407.6993
IUPAC Name:
N-[1-(benzenesulfonamido)-2,2,2-trichloroethyl]benzamide
InChI:
InChI=1S/C15H13Cl3N2O3S/c16-15(17,18)14(19-13(21)11-7-3-1-4-8-11)20-24(22,23)12-9-5-2-6-10-12/h1-10,14,20H,(H,19,21)
InChI Key:
DCYPLNNREOUTMO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(C(Cl)(Cl)Cl)NS(=O)(=O)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.971g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.69g/mol
Monoisotopic Mass:
405.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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