3-Iodo-1-(phenylsulfonyl)indole - CAS 80360-14-1

Catalog:	BB036490
Product Name:	3-Iodo-1-(phenylsulfonyl)indole
CAS:	80360-14-1
Synonyms:	1-(benzenesulfonyl)-3-iodoindole; 1-(benzenesulfonyl)-3-iodoindole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(benzenesulfonyl)-3-iodoindole
Description:	3-Iodo-1-(phenylsulfonyl)indole (CAS# 80360-14-1) is a useful research chemical.
Molecular Weight:	383.20
Molecular Formula:	C14H10INO2S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)I
InChI:	InChI=1S/C14H10INO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChI Key:	GKYWOZYEMLEJFK-UHFFFAOYSA-N
Boiling Point:	516.555 °C at 760 mmHg
Density:	1.733 g/cm³
Appearance:	Solid
MDL:	MFCD09037474
LogP:	4.56370

Publication Number	Title	Priority Date
EP-3399968-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20160107
JP-2019501222-A	Selective inhibitors of clinically important variants of EGFR tyrosine kinase	20160107
KR-20180105161-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20160107
US-10435388-B2	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20160107
US-2019023689-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20160107

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[20776-45-8]
5-Benzyloxytryptamine
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate

Complexity:	414
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	382.9477
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	382.9477
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9