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Home > Fluorides > 880139-11-7
880139-11-7 | N-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)benzene-1-sulfonamide
CAS No: 880139-11-7 Catalog No: AG00ITGJ MDL No:MFCD00955224
Product Description
Catalog Number:
AG00ITGJ
Chemical Name:
N-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)benzene-1-sulfonamide
CAS Number:
880139-11-7
Molecular Formula:
C17H15F3N2O2S
Molecular Weight:
368.3734
MDL Number:
MFCD00955224
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C17H15F3N2O2S/c18-17(19,20)14-6-2-4-8-16(14)25(23,24)22-10-9-12-11-21-15-7-3-1-5-13(12)15/h1-8,11,21-22H,9-10H2
InChI Key:
QPNXGIMADNPEJT-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1S(=O)(=O)NCCc1c[nH]c2c1cccc2)(F)F
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.374g/mol
Monoisotopic Mass:
368.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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