N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide

C20H23NO3S — CID 122276632

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3S/c22-25(23,21-19-9-10-20(19)11-13-24-14-12-20)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19,21H,9-14H2
InChIKeyCXRAQXBHOPFFDV-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.59
Rot. Bonds4

About N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide

N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide (PubChem CID 122276632) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
PubChem CID122276632
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23NO3S/c22-25(23,21-19-9-10-20(19)11-13-24-14-12-20)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19,21H,9-14H2
InChIKeyCXRAQXBHOPFFDV-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 122276601
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122276592
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
CID 122276557
methyl 4-(7-oxaspiro[3.5]nonan-3-ylsulfamoyl)benzoate
CID 122276607
3-ethyl-N-(6-oxaspiro[2.5]octan-2-yl)benzenesulfonamide
CID 128586564
N-(7-oxaspiro[3.5]nonan-3-yl)ethenesulfonamide
CID 167896851
N,3-diphenylbenzenesulfonamide
CID 54513984
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374891
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide (CID 122276632) is N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide is O=S(=O)(NC1CCC12CCOCC2)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide?
The InChIKey is CXRAQXBHOPFFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-25(23,21-19-9-10-20(19)11-13-24-14-12-20)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19,21H,9-14H2.
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide has a molecular weight of 357.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide is sourced from PubChem (CID 122276632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).