4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide

C24H24ClN5O2S — CID 54584003

IUPAC4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)
InChIKeyHYDYVUPTSSQFHY-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.24
Rot. Bonds9

About 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 54584003) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID54584003
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC Name4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)
InChIKeyHYDYVUPTSSQFHY-UHFFFAOYSA-N
XLogP4.24
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide (CID 54584003) is 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is HYDYVUPTSSQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30).
What are the key properties of 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 482.01 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[2-(4-chlorophenyl)ethylamino]quinazolin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 54584003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).