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

C22H16Cl2N4O2S — CID 167484126

IUPAC6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3cccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1
InChIInChI=1S/C22H16Cl2N4O2S/c23-15-5-6-18(24)21(11-15)31(29,30)28-9-8-17-16(2-1-3-20(17)28)13-4-7-19-14(10-13)12-26-22(25)27-19/h1-7,10-12H,8-9H2,(H2,25,26,27)
InChIKeyPUHSUQMPYFWOIN-UHFFFAOYSA-N
MW471.37 g/mol
LogP4.94
Rot. Bonds3

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

6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine (PubChem CID 167484126) has the molecular formula C22H16Cl2N4O2S and a molecular weight of 471.37 g/mol. Its IUPAC name is 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine
PubChem CID167484126
Molecular FormulaC22H16Cl2N4O2S
Molecular Weight471.37 g/mol
Exact Mass470.04
IUPAC Name6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3cccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1
InChIInChI=1S/C22H16Cl2N4O2S/c23-15-5-6-18(24)21(11-15)31(29,30)28-9-8-17-16(2-1-3-20(17)28)13-4-7-19-14(10-13)12-26-22(25)27-19/h1-7,10-12H,8-9H2,(H2,25,26,27)
InChIKeyPUHSUQMPYFWOIN-UHFFFAOYSA-N
XLogP4.94
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 54.94
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-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The IUPAC name of 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine (CID 167484126) is 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The canonical SMILES for 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine is Nc1ncc2cc(-c3cccc4c3CCN4S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2n1.
What is the InChIKey of 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine?
The InChIKey is PUHSUQMPYFWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2S/c23-15-5-6-18(24)21(11-15)31(29,30)28-9-8-17-16(2-1-3-20(17)28)13-4-7-19-14(10-13)12-26-22(25)27-19/h1-7,10-12H,8-9H2,(H2,25,26,27).
What are the key properties of 6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine?
6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine has a molecular weight of 471.37 g/mol, XLogP of 4.94, 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-2,3-dihydroindol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 167484126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).