3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane

C140H188BBrCl4F3N17O10S4 — CID 159606290

About 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane

3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane (PubChem CID 159606290) has the molecular formula C140H188BBrCl4F3N17O10S4 and a molecular weight of 2686.94 g/mol. Its IUPAC name is 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane.

Molecular Properties

• Compound Name: 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane
• PubChem CID: 159606290
• Molecular Formula: C140H188BBrCl4F3N17O10S4
• Molecular Weight: 2686.94 g/mol
• Exact Mass: 2682.16
• IUPAC Name: 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane
• SMILES: C.C.C.C.C.C.CCC1CCC(C)CC1.CCN(C)C1CCC(C)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1Br
• InChI: InChI=1S/C32H38ClN5O2S.2C23H19ClFN3O2S.C16H20BFN2O2.C13H11BrClNO2S.C10H21N.C9H18.C8H18N2.6CH4/c1-5-22-17-23(28-16-13-26(35-21(28)3)20-41(39,40)30-10-8-7-9-29(30)33)18-24-19-34-32(37-31(22)24)36-25-11-14-27(15-12-25)38(4)6-2;2*1-3-15-10-16(11-17-12-26-23(25)28-22(15)17)19-9-8-18(27-14(19)2)13-31(29,30)21-7-5-4-6-20(21)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;1-9-11(14)7-6-10(16-9)8-19(17,18)13-5-3-2-4-12(13)15;1-4-11(3)10-7-5-9(2)6-8-10;1-3-9-6-4-8(2)5-7-9;1-10(2)8-5-3-7(9)4-6-8;;;;;;/h7-10,13,16-19,25,27H,5-6,11-12,14-15,20H2,1-4H3,(H,34,36,37);2*4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,8H2,1H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6,9H2,1-2H3;6*1H4
• InChIKey: MMCUFWXDTNEMPE-UHFFFAOYSA-N
• XLogP: 34.31
• TPSA: 357.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2686.94
LogP ≤ 5	34.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane (CID 159606290) is 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane.

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

The canonical SMILES for 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane is C.C.C.C.C.C.CCC1CCC(C)CC1.CCN(C)C1CCC(C)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1Br.

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

The InChIKey is MMCUFWXDTNEMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O2S.2C23H19ClFN3O2S.C16H20BFN2O2.C13H11BrClNO2S.C10H21N.C9H18.C8H18N2.6CH4/c1-5-22-17-23(28-16-13-26(35-21(28)3)20-41(39,40)30-10-8-7-9-29(30)33)18-24-19-34-32(37-31(22)24)36-25-11-14-27(15-12-25)38(4)6-2;2*1-3-15-10-16(11-17-12-26-23(25)28-22(15)17)19-9-8-18(27-14(19)2)13-31(29,30)21-7-5-4-6-20(21)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;1-9-11(14)7-6-10(16-9)8-19(17,18)13-5-3-2-4-12(13)15;1-4-11(3)10-7-5-9(2)6-8-10;1-3-9-6-4-8(2)5-7-9;1-10(2)8-5-3-7(9)4-6-8;;;;;;/h7-10,13,16-19,25,27H,5-6,11-12,14-15,20H2,1-4H3,(H,34,36,37);2*4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;2-7H,8H2,1H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6,9H2,1-2H3;6*1H4.

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

3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane has a molecular weight of 2686.94 g/mol, XLogP of 34.31, 28 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-[(2-chlorophenyl)sulfonylmethyl]-2-methylpyridine;bis(6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline);1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-ethyl-4-N-methylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;N-ethyl-N,4-dimethylcyclohexan-1-amine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;1-ethyl-4-methylcyclohexane;methane is sourced from PubChem (CID 159606290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).