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Home > Indoles and Oxindole > 1164474-01-4
1164474-01-4 | (2Z)-2-(benzenesulfonyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
CAS No: 1164474-01-4 Catalog No: AG00IO5J MDL No:MFCD04124813
Product Description
Catalog Number:
AG00IO5J
Chemical Name:
(2Z)-2-(benzenesulfonyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
CAS Number:
1164474-01-4
Molecular Formula:
C18H14N2O3S
Molecular Weight:
338.3804
MDL Number:
MFCD04124813
IUPAC Name:
2-(benzenesulfonyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C18H14N2O3S/c1-23-14-7-8-18-17(10-14)13(12-20-18)9-16(11-19)24(21,22)15-5-3-2-4-6-15/h2-10,12,20H,1H3
InChI Key:
TXDZUWYZMUYKEZ-UHFFFAOYSA-N
SMILES:
N#C/C(=C/c1c[nH]c2c1cc(OC)cc2)/S(=O)(=O)c1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.381g/mol
Monoisotopic Mass:
338.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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