3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide

C15H20FNO4S — CID 122276580

IUPAC3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC23CCOCC3)cc1F
InChIInChI=1S/C15H20FNO4S/c1-20-13-3-2-11(10-12(13)16)22(18,19)17-14-4-5-15(14)6-8-21-9-7-15/h2-3,10,14,17H,4-9H2,1H3
InChIKeyIIRLCHFZHFKNDC-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.07
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide

3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide (PubChem CID 122276580) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
PubChem CID122276580
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC23CCOCC3)cc1F
InChIInChI=1S/C15H20FNO4S/c1-20-13-3-2-11(10-12(13)16)22(18,19)17-14-4-5-15(14)6-8-21-9-7-15/h2-3,10,14,17H,4-9H2,1H3
InChIKeyIIRLCHFZHFKNDC-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122276592
3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
CID 129353410
N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
2-[(3S,4R)-4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91761890
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide (CID 122276580) is 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC23CCOCC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The InChIKey is IIRLCHFZHFKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-20-13-3-2-11(10-12(13)16)22(18,19)17-14-4-5-15(14)6-8-21-9-7-15/h2-3,10,14,17H,4-9H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide is sourced from PubChem (CID 122276580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).