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

C20H19N3O3S — CID 11523776

IUPAC11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-17-6-3-4-7-18(17)23(14-15-9-11-16(26-2)12-10-15)20-19(27(22,24)25)8-5-13-21-20/h3-13H,14H2,1-2H3
InChIKeyXUEWAMQSKMYOGU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.57
Rot. Bonds3

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

11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (PubChem CID 11523776) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.

Molecular Properties

Compound Name11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
PubChem CID11523776
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C20H19N3O3S/c1-22-17-6-3-4-7-18(17)23(14-15-9-11-16(26-2)12-10-15)20-19(27(22,24)25)8-5-13-21-20/h3-13H,14H2,1-2H3
InChIKeyXUEWAMQSKMYOGU-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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Related Compounds

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CID 4992
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CID 25138033
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
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2-{4-[(4'-Methoxybiphenyl-3-Yl)sulfonyl]piperazin-1-Yl}-3-(4-Methoxyphenyl)pyrazine
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[3H]pyrilamine
CID 656400
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
4-[(4-propoxybenzylidene)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 1823125
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 3639258
6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
CID 4885153
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 9391262

Frequently Asked Questions

What is the IUPAC name of 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The IUPAC name of 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (CID 11523776) is 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.
What is the SMILES notation for 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The canonical SMILES for 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is COc1ccc(CN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)cc1.
What is the InChIKey of 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The InChIKey is XUEWAMQSKMYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-22-17-6-3-4-7-18(17)23(14-15-9-11-16(26-2)12-10-15)20-19(27(22,24)25)8-5-13-21-20/h3-13H,14H2,1-2H3.
What are the key properties of 11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
11-[(4-methoxyphenyl)methyl]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-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]-6-methylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is sourced from PubChem (CID 11523776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).