N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

C16H17NO5S — CID 16836899

IUPACN-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H17NO5S/c1-20-14-6-3-2-5-13(14)17-23(18,19)12-7-8-15-16(11-12)22-10-4-9-21-15/h2-3,5-8,11,17H,4,9-10H2,1H3
InChIKeyOHHYVIILIIXFGU-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.66
Rot. Bonds4

About N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (PubChem CID 16836899) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
PubChem CID16836899
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H17NO5S/c1-20-14-6-3-2-5-13(14)17-23(18,19)12-7-8-15-16(11-12)22-10-4-9-21-15/h2-3,5-8,11,17H,4,9-10H2,1H3
InChIKeyOHHYVIILIIXFGU-UHFFFAOYSA-N
XLogP2.66
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938312
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110759012
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
N-[(3-methoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 123164663
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 51963373
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55953201
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide (CID 16836899) is N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
The InChIKey is OHHYVIILIIXFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-20-14-6-3-2-5-13(14)17-23(18,19)12-7-8-15-16(11-12)22-10-4-9-21-15/h2-3,5-8,11,17H,4,9-10H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide?
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide has a molecular weight of 335.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide is sourced from PubChem (CID 16836899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).