N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H21NO5S — CID 122276592

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21NO5S/c18-23(19,12-1-2-13-14(11-12)22-10-9-21-13)17-15-3-4-16(15)5-7-20-8-6-16/h1-2,11,15,17H,3-10H2
InChIKeyRTFWXHYJSQUUGQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.70
Rot. Bonds3

About N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 122276592) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID122276592
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21NO5S/c18-23(19,12-1-2-13-14(11-12)22-10-9-21-13)17-15-3-4-16(15)5-7-20-8-6-16/h1-2,11,15,17H,3-10H2
InChIKeyRTFWXHYJSQUUGQ-UHFFFAOYSA-N
XLogP1.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 122276601
methyl 4-(7-oxaspiro[3.5]nonan-3-ylsulfamoyl)benzoate
CID 122276607
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122560596
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropanesulfonamide
CID 122276541
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243774
N-(9H-xanthen-9-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4786910

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 122276592) is N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCC12CCOCC2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is RTFWXHYJSQUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c18-23(19,12-1-2-13-14(11-12)22-10-9-21-13)17-15-3-4-16(15)5-7-20-8-6-16/h1-2,11,15,17H,3-10H2.
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 339.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 122276592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).