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Home > Indoles and Oxindole > 877966-22-8
877966-22-8 | 3-{[2-(1H-indol-3-yl)-2-phenylethyl]sulfamoyl}benzoic acid
CAS No: 877966-22-8 Catalog No: AG01A3XK MDL No:MFCD07846171
Product Description
Catalog Number:
AG01A3XK
Chemical Name:
3-{[2-(1H-indol-3-yl)-2-phenylethyl]sulfamoyl}benzoic acid
CAS Number:
877966-22-8
Molecular Formula:
C23H20N2O4S
Molecular Weight:
420.4809
MDL Number:
MFCD07846171
IUPAC Name:
3-[[2-(1H-indol-3-yl)-2-phenylethyl]sulfamoyl]benzoic acid
InChI:
InChI=1S/C23H20N2O4S/c26-23(27)17-9-6-10-18(13-17)30(28,29)25-15-20(16-7-2-1-3-8-16)21-14-24-22-12-5-4-11-19(21)22/h1-14,20,24-25H,15H2,(H,26,27)
InChI Key:
SFGGWMFIHPUWJM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCC(c1c[nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.114g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
420.483g/mol
Monoisotopic Mass:
420.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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