N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane

C92H111BBrCl3F2N14O11S3 — CID 157493023

About N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane

N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane (PubChem CID 157493023) has the molecular formula C92H111BBrCl3F2N14O11S3 and a molecular weight of 1920.26 g/mol. Its IUPAC name is N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane.

Molecular Properties

• Compound Name: N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane
• PubChem CID: 157493023
• Molecular Formula: C92H111BBrCl3F2N14O11S3
• Molecular Weight: 1920.26 g/mol
• Exact Mass: 1916.60
• IUPAC Name: N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane
• SMILES: C.C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br
• InChI: InChI=1S/C31H36ClN5O3S.C23H19ClFN3O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2.2CH4/c1-5-20-16-21(17-22-18-33-31(36-29(20)22)35-23-10-13-25(14-11-23)37(2)3)26-15-12-24(34-30(26)40-4)19-41(38,39)28-9-7-6-8-27(28)32;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8;;/h6-9,12,15-18,23,25H,5,10-11,13-14,19H2,1-4H3,(H,33,35,36);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,1H3,(H,15,16);7-8H,3-6,9H2,1-2H3;2*1H4
• InChIKey: BXMSHMZNRIGXMC-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 321.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1920.26
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane?

The IUPAC name of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane (CID 157493023) is N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane.

What is the SMILES notation for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane?

The canonical SMILES for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane is C.C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1Br.

What is the InChIKey of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane?

The InChIKey is BXMSHMZNRIGXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN5O3S.C23H19ClFN3O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2.2CH4/c1-5-20-16-21(17-22-18-33-31(36-29(20)22)35-23-10-13-25(14-11-23)37(2)3)26-15-12-24(34-30(26)40-4)19-41(38,39)28-9-7-6-8-27(28)32;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-19-12-8(13)6-7-11(15-12)16-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8;;/h6-9,12,15-18,23,25H,5,10-11,13-14,19H2,1-4H3,(H,33,35,36);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,1H3,(H,15,16);7-8H,3-6,9H2,1-2H3;2*1H4.

What are the key properties of N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane?

N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane has a molecular weight of 1920.26 g/mol, XLogP of 19.23, 22 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;methane is sourced from PubChem (CID 157493023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).