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

C27H25N3O4S — CID 11569366

IUPAC6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccccc3N(Cc3ccc(OC)cc3)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C27H25N3O4S/c1-33-22-13-9-20(10-14-22)18-29-24-6-3-4-7-25(24)30(19-21-11-15-23(34-2)16-12-21)35(31,32)26-8-5-17-28-27(26)29/h3-17H,18-19H2,1-2H3
InChIKeyMVTZOIDYFHTUIV-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.15
Rot. Bonds6

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

6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (PubChem CID 11569366) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.

Molecular Properties

Compound Name6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
PubChem CID11569366
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
SMILESCOc1ccc(CN2c3ccccc3N(Cc3ccc(OC)cc3)S(=O)(=O)c3cccnc32)cc1
InChIInChI=1S/C27H25N3O4S/c1-33-22-13-9-20(10-14-22)18-29-24-6-3-4-7-25(24)30(19-21-11-15-23(34-2)16-12-21)35(31,32)26-8-5-17-28-27(26)29/h3-17H,18-19H2,1-2H3
InChIKeyMVTZOIDYFHTUIV-UHFFFAOYSA-N
XLogP5.15
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-{4-[(4'-Methoxybiphenyl-3-Yl)sulfonyl]piperazin-1-Yl}-3-(4-Methoxyphenyl)pyrazine
CID 56955953
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
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
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
11-[(4-Methoxyphenyl)methyl]pyrido[3,2-c][1,2,5]benzoxathiazepine 5,5-dioxide
CID 10384395
5-(dimethylamino)-N-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexyl]naphthalene-1-sulfonamide
CID 44457690
4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 45113143
N-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4236121
N-(4-methoxyphenyl)-4-methyl-N-2-pyridinylbenzenesulfonamide
CID 608033

Frequently Asked Questions

What is the IUPAC name of 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The IUPAC name of 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide (CID 11569366) is 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide.
What is the SMILES notation for 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The canonical SMILES for 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is COc1ccc(CN2c3ccccc3N(Cc3ccc(OC)cc3)S(=O)(=O)c3cccnc32)cc1.
What is the InChIKey of 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
The InChIKey is MVTZOIDYFHTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-33-22-13-9-20(10-14-22)18-29-24-6-3-4-7-25(24)30(19-21-11-15-23(34-2)16-12-21)35(31,32)26-8-5-17-28-27(26)29/h3-17H,18-19H2,1-2H3.
What are the key properties of 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide?
6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide has a molecular weight of 487.58 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-bis[(4-methoxyphenyl)methyl]pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide is sourced from PubChem (CID 11569366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).