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882999-52-2 | 2-PROPENAMIDE, N-[(4,5-DICHLORO-2-THIENYL)SULFONYL]-3-(5-FLUORO-3-METHYL-1H-INDOL-7-YL)-, (2E)-
CAS No: 882999-52-2 Catalog No: AG0049BE MDL No:
Product Description
Catalog Number:
AG0049BE
Chemical Name:
2-PROPENAMIDE, N-[(4,5-DICHLORO-2-THIENYL)SULFONYL]-3-(5-FLUORO-3-METHYL-1H-INDOL-7-YL)-, (2E)-
CAS Number:
882999-52-2
Molecular Formula:
C16H11Cl2FN2O3S2
Molecular Weight:
433.3045
IUPAC Name:
N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
InChI:
InChI=1S/C16H11Cl2FN2O3S2/c1-8-7-20-15-9(4-10(19)5-11(8)15)2-3-13(22)21-26(23,24)14-6-12(17)16(18)25-14/h2-7,20H,1H3,(H,21,22)
InChI Key:
LGCURHNHKIVNBX-UHFFFAOYSA-N
SMILES:
Fc1cc(/C=C/C(=O)NS(=O)(=O)c2sc(c(c2)Cl)Cl)c2c(c1)c(C)c[nH]2
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.957g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.293g/mol
Monoisotopic Mass:
431.957g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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