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106154-54-5 | 1H-Indole-2-carboxamide, N-(1,1-dimethylethyl)-1-(phenylsulfonyl)-
CAS No: 106154-54-5 Catalog No: AG007VHC MDL No:
Product Description
Catalog Number:
AG007VHC
Chemical Name:
1H-Indole-2-carboxamide, N-(1,1-dimethylethyl)-1-(phenylsulfonyl)-
CAS Number:
106154-54-5
Molecular Formula:
C19H20N2O3S
Molecular Weight:
356.4387
IUPAC Name:
1-(benzenesulfonyl)-N-tert-butylindole-2-carboxamide
InChI:
InChI=1S/C19H20N2O3S/c1-19(2,3)20-18(22)17-13-14-9-7-8-12-16(14)21(17)25(23,24)15-10-5-4-6-11-15/h4-13H,1-3H3,(H,20,22)
InChI Key:
NNWFPSSHWUAWPP-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)NC(C)(C)C
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.44g/mol
Monoisotopic Mass:
356.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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