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100557-22-0 | 1H-Indol-4-amine, 1-(phenylsulfonyl)-
CAS No: 100557-22-0 Catalog No: AG0002BU MDL No:
Product Description
Catalog Number:
AG0002BU
Chemical Name:
1H-Indol-4-amine, 1-(phenylsulfonyl)-
CAS Number:
100557-22-0
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
1-(benzenesulfonyl)indol-4-amine
InChI:
InChI=1S/C14H12N2O2S/c15-13-7-4-8-14-12(13)9-10-16(14)19(17,18)11-5-2-1-3-6-11/h1-10H,15H2
InChI Key:
XQPCIFQSPLEMHI-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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