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Home > Indoles and Oxindole > 880139-08-2
880139-08-2 | N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzene-1-sulfonamide
CAS No: 880139-08-2 Catalog No: AG00IP8G MDL No:MFCD08064729
Product Description
Catalog Number:
AG00IP8G
Chemical Name:
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzene-1-sulfonamide
CAS Number:
880139-08-2
Molecular Formula:
C18H20N2O4S
Molecular Weight:
360.4274
MDL Number:
MFCD08064729
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
InChI:
InChI=1S/C18H20N2O4S/c1-23-17-8-7-14(11-18(17)24-2)25(21,22)20-10-9-13-12-19-16-6-4-3-5-15(13)16/h3-8,11-12,19-20H,9-10H2,1-2H3
InChI Key:
JEWIGMUPILVUGL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)S(=O)(=O)NCCc1c[nH]c2c1cccc2
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.428g/mol
Monoisotopic Mass:
360.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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