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

C20H19N3O3S — CID 11559976

IUPAC11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
SMILESCOc1ccc(CN2c3ccccc3S(=O)(=O)N(C)c3cccnc32)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-18-7-5-13-21-20(18)23(14-15-9-11-16(26-2)12-10-15)17-6-3-4-8-19(17)27(22,24)25/h3-13H,14H2,1-2H3
InChIKeyMIZZNHFNHZLCNO-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.57
Rot. Bonds3

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

11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide (PubChem CID 11559976) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide.

Molecular Properties

Compound Name11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
PubChem CID11559976
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
SMILESCOc1ccc(CN2c3ccccc3S(=O)(=O)N(C)c3cccnc32)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-18-7-5-13-21-20(18)23(14-15-9-11-16(26-2)12-10-15)17-6-3-4-8-19(17)27(22,24)25/h3-13H,14H2,1-2H3
InChIKeyMIZZNHFNHZLCNO-UHFFFAOYSA-N
XLogP3.57
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide?
The IUPAC name of 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide (CID 11559976) is 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide.
What is the SMILES notation for 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide?
The canonical SMILES for 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide is COc1ccc(CN2c3ccccc3S(=O)(=O)N(C)c3cccnc32)cc1.
What is the InChIKey of 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide?
The InChIKey is MIZZNHFNHZLCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-22-18-7-5-13-21-20(18)23(14-15-9-11-16(26-2)12-10-15)17-6-3-4-8-19(17)27(22,24)25/h3-13H,14H2,1-2H3.
What are the key properties of 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide?
11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide has a molecular weight of 381.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-methoxyphenyl)methyl]-5-methylpyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide is sourced from PubChem (CID 11559976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).