N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide

C15H18F3NO4S — CID 91771508

IUPACN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOC[C@@H]1[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H18F3NO4S/c1-22-8-10-13(9-6-7-23-14(9)10)19-24(20,21)12-5-3-2-4-11(12)15(16,17)18/h2-5,9-10,13-14,19H,6-8H2,1H3/t9-,10+,13+,14-/m0/s1
InChIKeyHDGVCFVPXNUQDJ-PJQZNRQZSA-N
MW365.37 g/mol
LogP2.03
Rot. Bonds5

About N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 91771508) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID91771508
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC NameN-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOC[C@@H]1[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H18F3NO4S/c1-22-8-10-13(9-6-7-23-14(9)10)19-24(20,21)12-5-3-2-4-11(12)15(16,17)18/h2-5,9-10,13-14,19H,6-8H2,1H3/t9-,10+,13+,14-/m0/s1
InChIKeyHDGVCFVPXNUQDJ-PJQZNRQZSA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

4-chloro-3-[[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]sulfamoyl]benzoic acid
CID 91771830
2-chloro-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(trifluoromethyl)benzamide
CID 133268206
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 91792246
2-(difluoromethoxy)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91787561
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzoxepine-4-carboxamide
CID 133267007
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide
CID 91782238
2-indol-1-yl-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268436
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91761629
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide
CID 133266810
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(tetrazol-1-yl)benzamide
CID 91784581

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 91771508) is N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide is COC[C@@H]1[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HDGVCFVPXNUQDJ-PJQZNRQZSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-22-8-10-13(9-6-7-23-14(9)10)19-24(20,21)12-5-3-2-4-11(12)15(16,17)18/h2-5,9-10,13-14,19H,6-8H2,1H3/t9-,10+,13+,14-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91771508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).