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

C15H18F3NO3S — CID 122276601

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)11-2-1-3-12(10-11)23(20,21)19-13-4-5-14(13)6-8-22-9-7-14/h1-3,10,13,19H,4-9H2
InChIKeyDRWICPXMECAWNT-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.94
Rot. Bonds3

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

N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 122276601) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID122276601
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)11-2-1-3-12(10-11)23(20,21)19-13-4-5-14(13)6-8-22-9-7-14/h1-3,10,13,19H,4-9H2
InChIKeyDRWICPXMECAWNT-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 122276592
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276603
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-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 156778109
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118
N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 4560728
N-[2-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119986055
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 122276601) is N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCC12CCOCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DRWICPXMECAWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)11-2-1-3-12(10-11)23(20,21)19-13-4-5-14(13)6-8-22-9-7-14/h1-3,10,13,19H,4-9H2.
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 2.94, 3 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122276601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).