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88207-54-9 | 1H-Indole, 3-chloro-1-(phenylsulfonyl)-2-(2-pyridinyl)-
CAS No: 88207-54-9 Catalog No: AG004C1M MDL No:
Product Description
Catalog Number:
AG004C1M
Chemical Name:
1H-Indole, 3-chloro-1-(phenylsulfonyl)-2-(2-pyridinyl)-
CAS Number:
88207-54-9
Molecular Formula:
C19H13ClN2O2S
Molecular Weight:
368.8367
IUPAC Name:
1-(benzenesulfonyl)-3-chloro-2-pyridin-2-ylindole
InChI:
InChI=1S/C19H13ClN2O2S/c20-18-15-10-4-5-12-17(15)22(19(18)16-11-6-7-13-21-16)25(23,24)14-8-2-1-3-9-14/h1-13H
InChI Key:
DPNRORYQAUOIJL-UHFFFAOYSA-N
SMILES:
Clc1c2ccccc2n(c1c1ccccn1)S(=O)(=O)c1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.835g/mol
Monoisotopic Mass:
368.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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