1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide

C15H19ClFNO4S — CID 91768560

IUPAC1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide
SMILESCOC[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H19ClFNO4S/c1-21-7-12-14(11-4-5-22-15(11)12)18-23(19,20)8-9-2-3-10(16)6-13(9)17/h2-3,6,11-12,14-15,18H,4-5,7-8H2,1H3/t11-,12+,14+,15-/m0/s1
InChIKeyXXSIBBRUNWACCD-MXYBEHONSA-N
MW363.84 g/mol
LogP1.95
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide

1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide (PubChem CID 91768560) has the molecular formula C15H19ClFNO4S and a molecular weight of 363.84 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide
PubChem CID91768560
Molecular FormulaC15H19ClFNO4S
Molecular Weight363.84 g/mol
Exact Mass363.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide
SMILESCOC[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2F)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H19ClFNO4S/c1-21-7-12-14(11-4-5-22-15(11)12)18-23(19,20)8-9-2-3-10(16)6-13(9)17/h2-3,6,11-12,14-15,18H,4-5,7-8H2,1H3/t11-,12+,14+,15-/m0/s1
InChIKeyXXSIBBRUNWACCD-MXYBEHONSA-N
XLogP1.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide with MolForge

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Related Compounds

4-fluoro-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylbenzenesulfonamide
CID 91794281
2-(2-chloro-6-fluorophenyl)-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91771862
4-chloro-3-[[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]sulfamoyl]benzoic acid
CID 91771830
2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264692
2-(3-chloro-4-hydroxyphenyl)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91760662
3-(3,4-difluorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133266659
3-(benzenesulfonyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133265760
1-(2-chloro-6-methylphenyl)-3-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 133268728
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 131915097
5-fluoro-2-N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133268879
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133267885

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide (CID 91768560) is 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide is COC[C@@H]1[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2F)[C@@H]2CCO[C@H]12.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide?
The InChIKey is XXSIBBRUNWACCD-MXYBEHONSA-N. The full InChI is InChI=1S/C15H19ClFNO4S/c1-21-7-12-14(11-4-5-22-15(11)12)18-23(19,20)8-9-2-3-10(16)6-13(9)17/h2-3,6,11-12,14-15,18H,4-5,7-8H2,1H3/t11-,12+,14+,15-/m0/s1.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide?
1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide has a molecular weight of 363.84 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 91768560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).