3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C23H17F3N4O3S2 — CID 11179904

IUPAC3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1
InChIInChI=1S/C23H17F3N4O3S2/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30)
InChIKeyZFNGVBKYTWMHKN-UHFFFAOYSA-N
MW518.54 g/mol
LogP5.26
Rot. Bonds5

About 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 11179904) has the molecular formula C23H17F3N4O3S2 and a molecular weight of 518.54 g/mol. Its IUPAC name is 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID11179904
Molecular FormulaC23H17F3N4O3S2
Molecular Weight518.54 g/mol
Exact Mass518.07
IUPAC Name3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1
InChIInChI=1S/C23H17F3N4O3S2/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30)
InChIKeyZFNGVBKYTWMHKN-UHFFFAOYSA-N
XLogP5.26
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 11179904) is 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1.
What is the InChIKey of 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is ZFNGVBKYTWMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S2/c24-23(25,26)33-18-7-2-1-6-16(18)20-11-17-19(34-20)9-8-13-12-28-22(30-21(13)17)29-14-4-3-5-15(10-14)35(27,31)32/h1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30).
What are the key properties of 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 518.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11179904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).