3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide

C25H25N3O4S — CID 3893125

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCc4ccccc43)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-32-21-15-13-20(14-16-21)28-33(30,31)22-10-6-9-19(17-22)25(29)27-26-24-12-5-3-8-18-7-2-4-11-23(18)24/h2,4,6-7,9-11,13-17,28H,3,5,8,12H2,1H3,(H,27,29)
InChIKeyRVAYHIMDOUSEOI-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.36
Rot. Bonds6

About 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide

3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide (PubChem CID 3893125) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
PubChem CID3893125
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCc4ccccc43)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-32-21-15-13-20(14-16-21)28-33(30,31)22-10-6-9-19(17-22)25(29)27-26-24-12-5-3-8-18-7-2-4-11-23(18)24/h2,4,6-7,9-11,13-17,28H,3,5,8,12H2,1H3,(H,27,29)
InChIKeyRVAYHIMDOUSEOI-UHFFFAOYSA-N
XLogP4.36
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6904564
3-[(4-methoxyphenyl)sulfamoyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 29144925
4-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3885583
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-[(4-hydroxyphenyl)methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2361346
2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
CID 7933100
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide (CID 3893125) is 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCc4ccccc43)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide?
The InChIKey is RVAYHIMDOUSEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-32-21-15-13-20(14-16-21)28-33(30,31)22-10-6-9-19(17-22)25(29)27-26-24-12-5-3-8-18-7-2-4-11-23(18)24/h2,4,6-7,9-11,13-17,28H,3,5,8,12H2,1H3,(H,27,29).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)benzamide is sourced from PubChem (CID 3893125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).