2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine

C109H138BCl7F2N22O15S4 — CID 158096072

About 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine

2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine (PubChem CID 158096072) has the molecular formula C109H138BCl7F2N22O15S4 and a molecular weight of 2421.69 g/mol. Its IUPAC name is 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine.

Molecular Properties

• Compound Name: 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine
• PubChem CID: 158096072
• Molecular Formula: C109H138BCl7F2N22O15S4
• Molecular Weight: 2421.69 g/mol
• Exact Mass: 2416.75
• IUPAC Name: 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine
• SMILES: C.C.C.C.C.CCc1cc(-c2ncc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ncc(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.COc1cncc(N)n1.COc1nc(CS(=O)(=O)c2ccccc2Cl)cnc1Cl.COc1nc(N)cnc1Cl.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C30H35ClN6O3S.C22H18ClFN4O3S.C16H20BFN2O2.C12H10Cl2N2O3S.C8H18N2.C6H4Cl2O2S.C5H6ClN3O.C5H7N3O.5CH4/c1-5-19-14-20(15-21-16-33-30(36-27(19)21)35-22-10-12-24(13-11-22)37(2)3)28-29(40-4)34-23(17-32-28)18-41(38,39)26-9-7-6-8-25(26)31;1-3-13-8-14(9-15-10-26-22(24)28-19(13)15)20-21(31-2)27-16(11-25-20)12-32(29,30)18-7-5-4-6-17(18)23;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;1-19-12-11(14)15-6-8(16-12)7-20(17,18)10-5-3-2-4-9(10)13;1-10(2)8-5-3-7(9)4-6-8;7-5-3-1-2-4-6(5)11(8,9)10;1-10-5-4(6)8-2-3(7)9-5;1-9-5-3-7-2-4(6)8-5;;;;;/h6-9,14-17,22,24H,5,10-13,18H2,1-4H3,(H,33,35,36);4-11H,3,12H2,1-2H3;7-9H,6H2,1-5H3;2-6H,7H2,1H3;7-8H,3-6,9H2,1-2H3;1-4H;2H,1H3,(H2,7,9);2-3H,1H3,(H2,6,8);5*1H4
• InChIKey: FORJACMKYMCKHR-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 503.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.69
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine?

The IUPAC name of 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine (CID 158096072) is 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine.

What is the SMILES notation for 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine?

The canonical SMILES for 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine is C.C.C.C.C.CCc1cc(-c2ncc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ncc(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.COc1cncc(N)n1.COc1nc(CS(=O)(=O)c2ccccc2Cl)cnc1Cl.COc1nc(N)cnc1Cl.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine?

The InChIKey is FORJACMKYMCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3S.C22H18ClFN4O3S.C16H20BFN2O2.C12H10Cl2N2O3S.C8H18N2.C6H4Cl2O2S.C5H6ClN3O.C5H7N3O.5CH4/c1-5-19-14-20(15-21-16-33-30(36-27(19)21)35-22-10-12-24(13-11-22)37(2)3)28-29(40-4)34-23(17-32-28)18-41(38,39)26-9-7-6-8-25(26)31;1-3-13-8-14(9-15-10-26-22(24)28-19(13)15)20-21(31-2)27-16(11-25-20)12-32(29,30)18-7-5-4-6-17(18)23;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;1-19-12-11(14)15-6-8(16-12)7-20(17,18)10-5-3-2-4-9(10)13;1-10(2)8-5-3-7(9)4-6-8;7-5-3-1-2-4-6(5)11(8,9)10;1-10-5-4(6)8-2-3(7)9-5;1-9-5-3-7-2-4(6)8-5;;;;;/h6-9,14-17,22,24H,5,10-13,18H2,1-4H3,(H,33,35,36);4-11H,3,12H2,1-2H3;7-9H,6H2,1-5H3;2-6H,7H2,1H3;7-8H,3-6,9H2,1-2H3;1-4H;2H,1H3,(H2,7,9);2-3H,1H3,(H2,6,8);5*1H4.

What are the key properties of 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine?

2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine has a molecular weight of 2421.69 g/mol, XLogP of 22.44, 25 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chlorobenzenesulfonyl chloride;2-chloro-5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazine;5-chloro-6-methoxypyrazin-2-amine;6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[5-[(2-chlorophenyl)sulfonylmethyl]-3-methoxypyrazin-2-yl]-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;6-methoxypyrazin-2-amine is sourced from PubChem (CID 158096072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).