3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide

C16H13F2NO6S — CID 71892401

IUPAC3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13F2NO6S/c17-16(18)25-11-3-1-2-10(8-11)15(20)19-26(21,22)12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9,16H,6-7H2,(H,19,20)
InChIKeyYJGFWLWJQVXXRA-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.18
Rot. Bonds5

About 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide

3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide (PubChem CID 71892401) has the molecular formula C16H13F2NO6S and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
PubChem CID71892401
Molecular FormulaC16H13F2NO6S
Molecular Weight385.34 g/mol
Exact Mass385.04
IUPAC Name3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13F2NO6S/c17-16(18)25-11-3-1-2-10(8-11)15(20)19-26(21,22)12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9,16H,6-7H2,(H,19,20)
InChIKeyYJGFWLWJQVXXRA-UHFFFAOYSA-N
XLogP2.18
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 46476729
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(2-fluorophenyl)prop-2-enamide
CID 91942392
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide
CID 71941167
(2R)-N-[4-(difluoromethoxy)phenyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 25477627
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2162099
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75363379
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-sulfamoylphenyl)benzamide
CID 4844447
3-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prop-2-enamide
CID 71894493

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide (CID 71892401) is 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide is O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide?
The InChIKey is YJGFWLWJQVXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO6S/c17-16(18)25-11-3-1-2-10(8-11)15(20)19-26(21,22)12-4-5-13-14(9-12)24-7-6-23-13/h1-5,8-9,16H,6-7H2,(H,19,20).
What are the key properties of 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide?
3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide has a molecular weight of 385.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide is sourced from PubChem (CID 71892401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).