N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate

C88H111ClF3N9O17S3Si3 — CID 162001713

About N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate

N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate (PubChem CID 162001713) has the molecular formula C88H111ClF3N9O17S3Si3 and a molecular weight of 1839.81 g/mol. Its IUPAC name is N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate.

Molecular Properties

• Compound Name: N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
• PubChem CID: 162001713
• Molecular Formula: C88H111ClF3N9O17S3Si3
• Molecular Weight: 1839.81 g/mol
• Exact Mass: 1837.62
• IUPAC Name: N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate
• SMILES: C=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1.CC(C)[Si](Oc1c2c(c(O)c3cccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C.CC(C)[Si](Oc1c2c(c(OS(=O)(=O)N(C)C)c3cccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C.CN(C)S(=O)(=O)Cl
• InChI: InChI=1S/C30H38FN3O5SSi.C29H36FN3O6SSi.C27H31FN2O4Si.C2H6ClNO2S/c1-18(2)41(19(3)4,20(5)6)39-29-26-25(21(7)34(30(26)35)17-22-12-14-23(31)15-13-22)28(38-40(36,37)33(8)9)24-11-10-16-32-27(24)29;1-17(2)41(18(3)4,19(5)6)39-27-24-23(28(34)33(29(24)35)16-20-11-13-21(30)14-12-20)26(38-40(36,37)32(7)8)22-10-9-15-31-25(22)27;1-15(2)35(16(3)4,17(5)6)34-25-22-21(24(31)20-8-7-13-29-23(20)25)26(32)30(27(22)33)14-18-9-11-19(28)12-10-18;1-4(2)7(3,5)6/h10-16,18-20H,7,17H2,1-6,8-9H3;9-15,17-19H,16H2,1-8H3;7-13,15-17,31H,14H2,1-6H3;1-2H3
• InChIKey: YSHMSXWJAUOZTF-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 312.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.81
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The IUPAC name of N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate (CID 162001713) is N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate.

What is the SMILES notation for N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The canonical SMILES for N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate is C=C1c2c(c(O[Si](C(C)C)(C(C)C)C(C)C)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1.CC(C)[Si](Oc1c2c(c(O)c3cccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C.CC(C)[Si](Oc1c2c(c(OS(=O)(=O)N(C)C)c3cccnc13)C(=O)N(Cc1ccc(F)cc1)C2=O)(C(C)C)C(C)C.CN(C)S(=O)(=O)Cl.

What is the InChIKey of N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

The InChIKey is YSHMSXWJAUOZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O5SSi.C29H36FN3O6SSi.C27H31FN2O4Si.C2H6ClNO2S/c1-18(2)41(19(3)4,20(5)6)39-29-26-25(21(7)34(30(26)35)17-22-12-14-23(31)15-13-22)28(38-40(36,37)33(8)9)24-11-10-16-32-27(24)29;1-17(2)41(18(3)4,19(5)6)39-27-24-23(28(34)33(29(24)35)16-20-11-13-21(30)14-12-20)26(38-40(36,37)32(7)8)22-10-9-15-31-25(22)27;1-15(2)35(16(3)4,17(5)6)34-25-22-21(24(31)20-8-7-13-29-23(20)25)26(32)30(27(22)33)14-18-9-11-19(28)12-10-18;1-4(2)7(3,5)6/h10-16,18-20H,7,17H2,1-6,8-9H3;9-15,17-19H,16H2,1-8H3;7-13,15-17,31H,14H2,1-6H3;1-2H3.

What are the key properties of N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate?

N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate has a molecular weight of 1839.81 g/mol, XLogP of 19.11, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylsulfamoyl chloride;[7-[(4-fluorophenyl)methyl]-6,8-dioxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate;7-[(4-fluorophenyl)methyl]-5-hydroxy-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinoline-6,8-dione;[7-[(4-fluorophenyl)methyl]-6-methylidene-8-oxo-9-tri(propan-2-yl)silyloxypyrrolo[3,4-g]quinolin-5-yl] N,N-dimethylsulfamate is sourced from PubChem (CID 162001713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).