5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide

C92H79Cl3F2N18O14S6 — CID 158508114

About 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide

5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide (PubChem CID 158508114) has the molecular formula C92H79Cl3F2N18O14S6 and a molecular weight of 1997.51 g/mol. Its IUPAC name is 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide.

Molecular Properties

• Compound Name: 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
• PubChem CID: 158508114
• Molecular Formula: C92H79Cl3F2N18O14S6
• Molecular Weight: 1997.51 g/mol
• Exact Mass: 1994.34
• IUPAC Name: 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
• SMILES: CN1C(c2ccccc2)c2ccc3cccnc3c2NS1(=O)=O.COc1cc(NS(=O)(=O)Nc2c(F)cccc2F)c2ncccc2c1.COc1cc(NS(=O)(=O)Nc2cccc(Cl)c2C)c2ncccc2c1.Cc1c(Cl)cccc1NS(=O)(=O)Nc1ccc(Cl)c2cccnc12.O=S1(=O)NCc2ccc3cccnc3c2N1.O=S1(=O)Nc2c(ccc3cccnc23)CN1c1ccccc1
• InChI: InChI=1S/C17H16ClN3O3S.C17H15N3O2S.C16H13Cl2N3O2S.C16H13F2N3O3S.C16H13N3O2S.C10H9N3O2S/c1-11-14(18)6-3-7-15(11)20-25(22,23)21-16-10-13(24-2)9-12-5-4-8-19-17(12)16;1-20-17(13-6-3-2-4-7-13)14-10-9-12-8-5-11-18-15(12)16(14)19-23(20,21)22;1-10-12(17)5-2-6-14(10)20-24(22,23)21-15-8-7-13(18)11-4-3-9-19-16(11)15;1-24-11-8-10-4-3-7-19-15(10)14(9-11)20-25(22,23)21-16-12(17)5-2-6-13(16)18;20-22(21)18-16-13(9-8-12-5-4-10-17-15(12)16)11-19(22)14-6-2-1-3-7-14;14-16(15)12-6-8-4-3-7-2-1-5-11-9(7)10(8)13-16/h3-10,20-21H,1-2H3;2-11,17,19H,1H3;2-9,20-21H,1H3;2-9,20-21H,1H3;1-10,18H,11H2;1-5,12-13H,6H2
• InChIKey: HKSAURGETYIOIX-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 427.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.51
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?

The IUPAC name of 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide (CID 158508114) is 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide.

What is the SMILES notation for 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?

The canonical SMILES for 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide is CN1C(c2ccccc2)c2ccc3cccnc3c2NS1(=O)=O.COc1cc(NS(=O)(=O)Nc2c(F)cccc2F)c2ncccc2c1.COc1cc(NS(=O)(=O)Nc2cccc(Cl)c2C)c2ncccc2c1.Cc1c(Cl)cccc1NS(=O)(=O)Nc1ccc(Cl)c2cccnc12.O=S1(=O)NCc2ccc3cccnc3c2N1.O=S1(=O)Nc2c(ccc3cccnc23)CN1c1ccccc1.

What is the InChIKey of 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?

The InChIKey is HKSAURGETYIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S.C17H15N3O2S.C16H13Cl2N3O2S.C16H13F2N3O3S.C16H13N3O2S.C10H9N3O2S/c1-11-14(18)6-3-7-15(11)20-25(22,23)21-16-10-13(24-2)9-12-5-4-8-19-17(12)16;1-20-17(13-6-3-2-4-7-13)14-10-9-12-8-5-11-18-15(12)16(14)19-23(20,21)22;1-10-12(17)5-2-6-14(10)20-24(22,23)21-15-8-7-13(18)11-4-3-9-19-16(11)15;1-24-11-8-10-4-3-7-19-15(10)14(9-11)20-25(22,23)21-16-12(17)5-2-6-13(16)18;20-22(21)18-16-13(9-8-12-5-4-10-17-15(12)16)11-19(22)14-6-2-1-3-7-14;14-16(15)12-6-8-4-3-7-2-1-5-11-9(7)10(8)13-16/h3-10,20-21H,1-2H3;2-11,17,19H,1H3;2-9,20-21H,1H3;2-9,20-21H,1H3;1-10,18H,11H2;1-5,12-13H,6H2.

What are the key properties of 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?

5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide has a molecular weight of 1997.51 g/mol, XLogP of 18.72, 16 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(3-chloro-2-methylphenyl)sulfamoyl]quinolin-8-amine;N-[(3-chloro-2-methylphenyl)sulfamoyl]-6-methoxyquinolin-8-amine;N-[(2,6-difluorophenyl)sulfamoyl]-6-methoxyquinolin-8-amine;3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-phenyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide is sourced from PubChem (CID 158508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).