N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide

C16H15NO5S — CID 75403568

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C16H15NO5S/c18-16(12-5-2-1-3-6-12)17-23(19,20)13-7-8-14-15(11-13)22-10-4-9-21-14/h1-3,5-8,11H,4,9-10H2,(H,17,18)
InChIKeyYWBIYPCNOOBNJY-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.97
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide (PubChem CID 75403568) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
PubChem CID75403568
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C16H15NO5S/c18-16(12-5-2-1-3-6-12)17-23(19,20)13-7-8-14-15(11-13)22-10-4-9-21-14/h1-3,5-8,11H,4,9-10H2,(H,17,18)
InChIKeyYWBIYPCNOOBNJY-UHFFFAOYSA-N
XLogP1.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
CID 71892401
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-hydroxybenzohydrazide
CID 8511209
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
CID 75403977
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(2-fluorophenyl)prop-2-enamide
CID 91942392
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-ethylphenyl)benzamide
CID 37335411
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 1083525
benzyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate
CID 35451662

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide (CID 75403568) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide is O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide?
The InChIKey is YWBIYPCNOOBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c18-16(12-5-2-1-3-6-12)17-23(19,20)13-7-8-14-15(11-13)22-10-4-9-21-14/h1-3,5-8,11H,4,9-10H2,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide has a molecular weight of 333.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide is sourced from PubChem (CID 75403568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).