8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide

C20H18ClN3O3S — CID 11690189

IUPAC8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccc(Cl)cc3N(C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-23-18-12-15(21)7-10-17(18)24(13-14-5-8-16(27-2)9-6-14)20-19(28(23,25)26)4-3-11-22-20/h3-12H,13H2,1-2H3
InChIKeyKFESTFHVDODFOL-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.22
Rot. Bonds3

About 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide

8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (PubChem CID 11690189) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.

Molecular Properties

Compound Name8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
PubChem CID11690189
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccc(Cl)cc3N(C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-23-18-12-15(21)7-10-17(18)24(13-14-5-8-16(27-2)9-6-14)20-19(28(23,25)26)4-3-11-22-20/h3-12H,13H2,1-2H3
InChIKeyKFESTFHVDODFOL-UHFFFAOYSA-N
XLogP4.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide with MolForge

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Related Compounds

11-[(4-Methoxyphenyl)methyl]pyrido[3,2-c][1,2,5]benzoxathiazepine 5,5-dioxide
CID 10384395
11-[(4-Methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11523776
11-[(4-Methoxyphenyl)methyl]-6,9-dimethylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11639825
9-Methoxy-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11654487
9-Chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11654582
11-[2-(4-Methoxyphenyl)ethyl]pyrido[3,2-c][1,2,5]benzoxathiazepine 5,5-dioxide
CID 44582022
9-Chloro-11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 11502554
8-Chloro-11-[2-(4-methoxyphenyl)ethyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11502869
11-[2-(4-Methoxyphenyl)ethyl]-6,9-dimethylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11553306
11-[(4-Methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 11559976
6,11-Bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
CID 11569366
11-[(4-Methoxyphenyl)methyl]-5,9-dimethylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 11574774

Frequently Asked Questions

What is the IUPAC name of 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The IUPAC name of 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (CID 11690189) is 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.
What is the SMILES notation for 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The canonical SMILES for 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is COc1ccc(CN2c3ccc(Cl)cc3N(C)S(=O)(=O)c3cccnc32)cc1.
What is the InChIKey of 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The InChIKey is KFESTFHVDODFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-23-18-12-15(21)7-10-17(18)24(13-14-5-8-16(27-2)9-6-14)20-19(28(23,25)26)4-3-11-22-20/h3-12H,13H2,1-2H3.
What are the key properties of 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide has a molecular weight of 415.90 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is sourced from PubChem (CID 11690189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).