4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide

C106H90F8N18O16S6 — CID 157297857

IUPAC4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
SMILESCN1C(c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O.CN1C(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)c(OC)c1.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1F.Cc1cc(F)ccc1C1c2ccc3cccnc3c2NS(=O)(=O)N1C.O=S1(=O)Nc2c(ccc3cccnc23)C(c2ccc(F)cc2)N1
InChIInChI=1S/C19H19N3O4S.C18H14F3N3O3S.C18H16FN3O3S.C18H16FN3O2S.C17H13F2N3O2S.C16H12FN3O2S/c1-22-19(14-9-7-13(25-2)11-16(14)26-3)15-8-6-12-5-4-10-20-17(12)18(15)21-27(22,23)24;1-24-17(12-4-7-13(8-5-12)27-18(19,20)21)14-9-6-11-3-2-10-22-15(11)16(14)23-28(24,25)26;1-22-18(12-6-8-15(25-2)14(19)10-12)13-7-5-11-4-3-9-20-16(11)17(13)21-26(22,23)24;1-11-10-13(19)6-8-14(11)18-15-7-5-12-4-3-9-20-16(12)17(15)21-25(23,24)22(18)2;1-22-17(11-5-7-13(18)14(19)9-11)12-6-4-10-3-2-8-20-15(10)16(12)21-25(22,23)24;17-12-6-3-11(4-7-12)14-13-8-5-10-2-1-9-18-15(10)16(13)20-23(21,22)19-14/h4-11,19,21H,1-3H3;2-10,17,23H,1H3;3-10,18,21H,1-2H3;3-10,18,21H,1-2H3;2-9,17,21H,1H3;1-9,14,19-20H
InChIKeyBBNYAPDORSRPPZ-UHFFFAOYSA-N
MW2216.38 g/mol
LogP19.14
Rot. Bonds10

About 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide

4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide (PubChem CID 157297857) has the molecular formula C106H90F8N18O16S6 and a molecular weight of 2216.38 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
PubChem CID157297857
Molecular FormulaC106H90F8N18O16S6
Molecular Weight2216.38 g/mol
Exact Mass2214.50
IUPAC Name4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide
SMILESCN1C(c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O.CN1C(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)c(OC)c1.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1F.Cc1cc(F)ccc1C1c2ccc3cccnc3c2NS(=O)(=O)N1C.O=S1(=O)Nc2c(ccc3cccnc23)C(c2ccc(F)cc2)N1
InChIInChI=1S/C19H19N3O4S.C18H14F3N3O3S.C18H16FN3O3S.C18H16FN3O2S.C17H13F2N3O2S.C16H12FN3O2S/c1-22-19(14-9-7-13(25-2)11-16(14)26-3)15-8-6-12-5-4-10-20-17(12)18(15)21-27(22,23)24;1-24-17(12-4-7-13(8-5-12)27-18(19,20)21)14-9-6-11-3-2-10-22-15(11)16(14)23-28(24,25)26;1-22-18(12-6-8-15(25-2)14(19)10-12)13-7-5-11-4-3-9-20-16(11)17(13)21-26(22,23)24;1-11-10-13(19)6-8-14(11)18-15-7-5-12-4-3-9-20-16(12)17(15)21-25(23,24)22(18)2;1-22-17(11-5-7-13(18)14(19)9-11)12-6-4-10-3-2-8-20-15(10)16(12)21-25(22,23)24;17-12-6-3-11(4-7-12)14-13-8-5-10-2-1-9-18-15(10)16(13)20-23(21,22)19-14/h4-11,19,21H,1-3H3;2-10,17,23H,1H3;3-10,18,21H,1-2H3;3-10,18,21H,1-2H3;2-9,17,21H,1H3;1-9,14,19-20H
InChIKeyBBNYAPDORSRPPZ-UHFFFAOYSA-N
XLogP19.14
TPSA419.51 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.38
LogP ≤ 519.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?
The IUPAC name of 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide (CID 157297857) is 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide is CN1C(c2ccc(F)c(F)c2)c2ccc3cccnc3c2NS1(=O)=O.CN1C(c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2NS1(=O)=O.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)c(OC)c1.COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)cc1F.Cc1cc(F)ccc1C1c2ccc3cccnc3c2NS(=O)(=O)N1C.O=S1(=O)Nc2c(ccc3cccnc23)C(c2ccc(F)cc2)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?
The InChIKey is BBNYAPDORSRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S.C18H14F3N3O3S.C18H16FN3O3S.C18H16FN3O2S.C17H13F2N3O2S.C16H12FN3O2S/c1-22-19(14-9-7-13(25-2)11-16(14)26-3)15-8-6-12-5-4-10-20-17(12)18(15)21-27(22,23)24;1-24-17(12-4-7-13(8-5-12)27-18(19,20)21)14-9-6-11-3-2-10-22-15(11)16(14)23-28(24,25)26;1-22-18(12-6-8-15(25-2)14(19)10-12)13-7-5-11-4-3-9-20-16(11)17(13)21-26(22,23)24;1-11-10-13(19)6-8-14(11)18-15-7-5-12-4-3-9-20-16(12)17(15)21-25(23,24)22(18)2;1-22-17(11-5-7-13(18)14(19)9-11)12-6-4-10-3-2-8-20-15(10)16(12)21-25(22,23)24;17-12-6-3-11(4-7-12)14-13-8-5-10-2-1-9-18-15(10)16(13)20-23(21,22)19-14/h4-11,19,21H,1-3H3;2-10,17,23H,1H3;3-10,18,21H,1-2H3;3-10,18,21H,1-2H3;2-9,17,21H,1H3;1-9,14,19-20H.
What are the key properties of 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide?
4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide has a molecular weight of 2216.38 g/mol, XLogP of 19.14, 10 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(2,4-dimethoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(3-fluoro-4-methoxyphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluoro-2-methylphenyl)-3-methyl-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;4-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide;3-methyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[3,2-h][2,1,3]benzothiadiazine 2,2-dioxide is sourced from PubChem (CID 157297857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).