3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C92H77F3N16O13S9 — CID 159163229

About 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 159163229) has the molecular formula C92H77F3N16O13S9 and a molecular weight of 1960.32 g/mol. Its IUPAC name is 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
• PubChem CID: 159163229
• Molecular Formula: C92H77F3N16O13S9
• Molecular Weight: 1960.32 g/mol
• Exact Mass: 1958.33
• IUPAC Name: 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
• SMILES: COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccc(S(C)(=O)=O)cc4)nc2-3)c1.CS(=O)(=O)Nc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4O)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1
• InChI: InChI=1S/C24H21N3O3S2.C23H17F3N4O3S2.C23H21N5O4S3.C22H18N4O3S2/c1-30-18-5-3-4-15(12-18)22-13-20-21(31-22)11-6-16-14-25-24(27-23(16)20)26-17-7-9-19(10-8-17)32(2,28)29;24-23(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;1-34(29,30)28-17-6-2-4-14(10-17)21-12-19-20(33-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)35(24,31)32;23-31(28,29)15-5-3-4-14(10-15)25-22-24-12-13-8-9-19-17(21(13)26-22)11-20(30-19)16-6-1-2-7-18(16)27/h3-5,7-10,12-14H,6,11H2,1-2H3,(H,25,26,27);1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30);2-7,10-13,28H,8-9H2,1H3,(H2,24,31,32)(H,25,26,27);1-7,10-12,27H,8-9H2,(H2,23,28,29)(H,24,25,26)
• InChIKey: KKTIAXONLJRTBA-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 450.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.32
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The IUPAC name of 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 159163229) is 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;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-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4ccc(S(C)(=O)=O)cc4)nc2-3)c1.CS(=O)(=O)Nc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(N)(=O)=O)c4)nc2-3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4O)sc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4ccccc4OC(F)(F)F)sc2CC3)c1.

What is the InChIKey of 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

The InChIKey is KKTIAXONLJRTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2.C23H17F3N4O3S2.C23H21N5O4S3.C22H18N4O3S2/c1-30-18-5-3-4-15(12-18)22-13-20-21(31-22)11-6-16-14-25-24(27-23(16)20)26-17-7-9-19(10-8-17)32(2,28)29;24-23(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;1-34(29,30)28-17-6-2-4-14(10-17)21-12-19-20(33-21)9-8-15-13-25-23(27-22(15)19)26-16-5-3-7-18(11-16)35(24,31)32;23-31(28,29)15-5-3-4-14(10-15)25-22-24-12-13-8-9-19-17(21(13)26-22)11-20(30-19)16-6-1-2-7-18(16)27/h3-5,7-10,12-14H,6,11H2,1-2H3,(H,25,26,27);1-7,10-12H,8-9H2,(H2,27,31,32)(H,28,29,30);2-7,10-13,28H,8-9H2,1H3,(H2,24,31,32)(H,25,26,27);1-7,10-12,27H,8-9H2,(H2,23,28,29)(H,24,25,26).

What are the key properties of 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?

3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 1960.32 g/mol, XLogP of 18.19, 20 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[8-(2-hydroxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;3-[[8-[3-(methanesulfonamido)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide;8-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-amine;3-[[8-[2-(trifluoromethoxy)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159163229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).