6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine

C22H15Cl2FN4O2S — CID 156833053

IUPAC6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3c(F)ccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1
InChIInChI=1S/C22H15Cl2FN4O2S/c23-14-2-3-16(24)20(10-14)32(30,31)29-8-7-15-19(29)6-4-17(25)21(15)12-1-5-18-13(9-12)11-27-22(26)28-18/h1-6,9-11H,7-8H2,(H2,26,27,28)
InChIKeyHMWNOOIRJSHWAO-UHFFFAOYSA-N
MW489.36 g/mol
LogP5.08
Rot. Bonds3

About 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine

6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine (PubChem CID 156833053) has the molecular formula C22H15Cl2FN4O2S and a molecular weight of 489.36 g/mol. Its IUPAC name is 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine
PubChem CID156833053
Molecular FormulaC22H15Cl2FN4O2S
Molecular Weight489.36 g/mol
Exact Mass488.03
IUPAC Name6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3c(F)ccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1
InChIInChI=1S/C22H15Cl2FN4O2S/c23-14-2-3-16(24)20(10-14)32(30,31)29-8-7-15-19(29)6-4-17(25)21(15)12-1-5-18-13(9-12)11-27-22(26)28-18/h1-6,9-11H,7-8H2,(H2,26,27,28)
InChIKeyHMWNOOIRJSHWAO-UHFFFAOYSA-N
XLogP5.08
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.36
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The IUPAC name of 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine (CID 156833053) is 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The canonical SMILES for 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine is Nc1ncc2cc(-c3c(F)ccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1.
What is the InChIKey of 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The InChIKey is HMWNOOIRJSHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O2S/c23-14-2-3-16(24)20(10-14)32(30,31)29-8-7-15-19(29)6-4-17(25)21(15)12-1-5-18-13(9-12)11-27-22(26)28-18/h1-6,9-11H,7-8H2,(H2,26,27,28).
What are the key properties of 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine?
6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine has a molecular weight of 489.36 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dichlorophenyl)sulfonyl-5-fluoro-2,3-dihydroindol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 156833053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).