5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride

C118H146BBr2ClN18O18S4 — CID 157357332

About 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride

5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride (PubChem CID 157357332) has the molecular formula C118H146BBr2ClN18O18S4 and a molecular weight of 2438.91 g/mol. Its IUPAC name is 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride.

Molecular Properties

• Compound Name: 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride
• PubChem CID: 157357332
• Molecular Formula: C118H146BBr2ClN18O18S4
• Molecular Weight: 2438.91 g/mol
• Exact Mass: 2434.81
• IUPAC Name: 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride
• SMILES: CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.COc1nc(N)ccc1Br.COc1nc(NS(=O)(=O)c2ccccc2C)ccc1Br.Cc1ccccc1S(=O)(=O)Cl
• InChI: InChI=1S/C35H43N5O5S.C30H35N5O3S.C27H41BN4O4.C13H13BrN2O3S.C7H7ClO2S.C6H7BrN2O/c1-7-23-18-24(29-17-16-28(37-32(29)44-6)21-46(42,43)30-11-9-8-10-22(30)2)19-25-20-36-33(40-31(23)25)38-26-12-14-27(15-13-26)39-34(41)45-35(3,4)5;1-4-20-15-21(16-22-17-32-30(35-28(20)22)34-24-11-9-23(31)10-12-24)26-14-13-25(33-29(26)38-3)18-39(36,37)27-8-6-5-7-19(27)2;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-9-5-3-4-6-11(9)20(17,18)16-12-8-7-10(14)13(15-12)19-2;1-6-4-2-3-5-7(6)11(8,9)10;1-10-6-4(7)2-3-5(8)9-6/h8-11,16-20,26-27H,7,12-15,21H2,1-6H3,(H,39,41)(H,36,38,40);5-8,13-17,23-24H,4,9-12,18,31H2,1-3H3,(H,32,34,35);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);3-8H,1-2H3,(H,15,16);2-5H,1H3;2-3H,1H3,(H2,8,9)
• InChIKey: BIFYHXQEONHQQT-UHFFFAOYSA-N
• XLogP: 23.08
• TPSA: 497.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.91
LogP ≤ 5	23.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride?

The IUPAC name of 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride (CID 157357332) is 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride.

What is the SMILES notation for 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride?

The canonical SMILES for 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.COc1nc(N)ccc1Br.COc1nc(NS(=O)(=O)c2ccccc2C)ccc1Br.Cc1ccccc1S(=O)(=O)Cl.

What is the InChIKey of 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride?

The InChIKey is BIFYHXQEONHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O5S.C30H35N5O3S.C27H41BN4O4.C13H13BrN2O3S.C7H7ClO2S.C6H7BrN2O/c1-7-23-18-24(29-17-16-28(37-32(29)44-6)21-46(42,43)30-11-9-8-10-22(30)2)19-25-20-36-33(40-31(23)25)38-26-12-14-27(15-13-26)39-34(41)45-35(3,4)5;1-4-20-15-21(16-22-17-32-30(35-28(20)22)34-24-11-9-23(31)10-12-24)26-14-13-25(33-29(26)38-3)18-39(36,37)27-8-6-5-7-19(27)2;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-9-5-3-4-6-11(9)20(17,18)16-12-8-7-10(14)13(15-12)19-2;1-6-4-2-3-5-7(6)11(8,9)10;1-10-6-4(7)2-3-5(8)9-6/h8-11,16-20,26-27H,7,12-15,21H2,1-6H3,(H,39,41)(H,36,38,40);5-8,13-17,23-24H,4,9-12,18,31H2,1-3H3,(H,32,34,35);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);3-8H,1-2H3,(H,15,16);2-5H,1H3;2-3H,1H3,(H2,8,9).

What are the key properties of 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride?

5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride has a molecular weight of 2438.91 g/mol, XLogP of 23.08, 28 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methoxypyridin-2-amine;N-(5-bromo-6-methoxy-2-pyridinyl)-2-methylbenzenesulfonamide;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;4-N-[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]cyclohexane-1,4-diamine;2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 157357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).