4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

C125H135Cl5F5N35O22S5 — CID 159104354

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (PubChem CID 159104354) has the molecular formula C125H135Cl5F5N35O22S5 and a molecular weight of 2912.27 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
• PubChem CID: 159104354
• Molecular Formula: C125H135Cl5F5N35O22S5
• Molecular Weight: 2912.27 g/mol
• Exact Mass: 2907.75
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
• SMILES: CCOc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.COc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1.Nc1nc(F)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H30ClN7O5S.C25H25ClF3N7O4S.C25H27ClFN7O4S.C25H28ClN7O5S.C24H25ClFN7O4S/c1-2-38-25-32-23(28)22-24(33-25)34(17-30-22)13-3-4-14-39-26(35)29-15-18-7-11-21(12-8-18)40(36,37)31-16-19-5-9-20(27)10-6-19;26-23-34-21(30)20-22(35-23)36(15-32-20)11-1-2-12-40-24(37)31-13-16-5-9-19(10-6-16)41(38,39)33-14-17-3-7-18(8-4-17)25(27,28)29;26-24-32-22(28)21-23(33-24)34(16-30-21)13-1-2-14-38-25(35)29-15-18-5-9-20(10-6-18)39(36,37)31-12-11-17-3-7-19(27)8-4-17;1-37-24-31-22(27)21-23(32-24)33(16-29-21)12-2-3-13-38-25(34)28-14-17-6-10-20(11-7-17)39(35,36)30-15-18-4-8-19(26)9-5-18;25-18-7-3-17(4-8-18)14-30-38(35,36)19-9-5-16(6-10-19)13-28-24(34)37-12-2-1-11-33-15-29-20-21(27)31-23(26)32-22(20)33/h5-12,17,31H,2-4,13-16H2,1H3,(H,29,35)(H2,28,32,33);3-10,15,33H,1-2,11-14H2,(H,31,37)(H2,30,34,35);3-10,16,31H,1-2,11-15H2,(H,29,35)(H2,28,32,33);4-11,16,30H,2-3,12-15H2,1H3,(H,28,34)(H2,27,31,32);3-10,15,30H,1-2,11-14H2,(H,28,34)(H2,27,31,32)
• InChIKey: KDRNTAHTGQOQSZ-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 789.06 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 47
• Rotatable Bonds: 59
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2912.27
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (CID 159104354) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is CCOc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.COc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1.Nc1nc(F)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

The InChIKey is KDRNTAHTGQOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O5S.C25H25ClF3N7O4S.C25H27ClFN7O4S.C25H28ClN7O5S.C24H25ClFN7O4S/c1-2-38-25-32-23(28)22-24(33-25)34(17-30-22)13-3-4-14-39-26(35)29-15-18-7-11-21(12-8-18)40(36,37)31-16-19-5-9-20(27)10-6-19;26-23-34-21(30)20-22(35-23)36(15-32-20)11-1-2-12-40-24(37)31-13-16-5-9-19(10-6-16)41(38,39)33-14-17-3-7-18(8-4-17)25(27,28)29;26-24-32-22(28)21-23(33-24)34(16-30-21)13-1-2-14-38-25(35)29-15-18-5-9-20(10-6-18)39(36,37)31-12-11-17-3-7-19(27)8-4-17;1-37-24-31-22(27)21-23(32-24)33(16-29-21)12-2-3-13-38-25(34)28-14-17-6-10-20(11-7-17)39(35,36)30-15-18-4-8-19(26)9-5-18;25-18-7-3-17(4-8-18)14-30-38(35,36)19-9-5-16(6-10-19)13-28-24(34)37-12-2-1-11-33-15-29-20-21(27)31-23(26)32-22(20)33/h5-12,17,31H,2-4,13-16H2,1H3,(H,29,35)(H2,28,32,33);3-10,15,33H,1-2,11-14H2,(H,31,37)(H2,30,34,35);3-10,16,31H,1-2,11-15H2,(H,29,35)(H2,28,32,33);4-11,16,30H,2-3,12-15H2,1H3,(H,28,34)(H2,27,31,32);3-10,15,30H,1-2,11-14H2,(H,28,34)(H2,27,31,32).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate has a molecular weight of 2912.27 g/mol, XLogP of 17.98, 59 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 159104354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).