N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C23H22N2O6S — CID 2596476

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-16(14-20)23(26)24-17-6-11-21-22(15-17)31-13-12-30-21/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)
InChIKeyPOQULZRVGDOGCW-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.54
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2596476) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2596476
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-16(14-20)23(26)24-17-6-11-21-22(15-17)31-13-12-30-21/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)
InChIKeyPOQULZRVGDOGCW-UHFFFAOYSA-N
XLogP3.54
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2596476) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is POQULZRVGDOGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-25(18-7-9-19(29-2)10-8-18)32(27,28)20-5-3-4-16(14-20)23(26)24-17-6-11-21-22(15-17)31-13-12-30-21/h3-11,14-15H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 454.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2596476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).