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N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide

C20H12Cl2F2N4O2S — CID 156833222

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)ccc2n1
InChIInChI=1S/C20H12Cl2F2N4O2S/c21-12-2-3-13(22)17(8-12)31(29,30)28-16-6-4-14(23)18(19(16)24)10-1-5-15-11(7-10)9-26-20(25)27-15/h1-9,28H,(H2,25,26,27)
InChIKeyIPFMLPASZRYCKR-UHFFFAOYSA-N
MW481.31 g/mol
LogP5.26
Rot. Bonds4

About N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 156833222) has the molecular formula C20H12Cl2F2N4O2S and a molecular weight of 481.31 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
PubChem CID156833222
Molecular FormulaC20H12Cl2F2N4O2S
Molecular Weight481.31 g/mol
Exact Mass480.00
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)ccc2n1
InChIInChI=1S/C20H12Cl2F2N4O2S/c21-12-2-3-13(22)17(8-12)31(29,30)28-16-6-4-14(23)18(19(16)24)10-1-5-15-11(7-10)9-26-20(25)27-15/h1-9,28H,(H2,25,26,27)
InChIKeyIPFMLPASZRYCKR-UHFFFAOYSA-N
XLogP5.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.31
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide (CID 156833222) is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide is Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)ccc2n1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is IPFMLPASZRYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O2S/c21-12-2-3-13(22)17(8-12)31(29,30)28-16-6-4-14(23)18(19(16)24)10-1-5-15-11(7-10)9-26-20(25)27-15/h1-9,28H,(H2,25,26,27).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 481.31 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 156833222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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