N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

C17H21F2NO4S — CID 2431390

IUPACN-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1OC(F)F)C(=O)C2
InChIInChI=1S/C17H21F2NO4S/c1-16(2)11-7-8-17(16,14(21)9-11)10-25(22,23)20-12-5-3-4-6-13(12)24-15(18)19/h3-6,11,15,20H,7-10H2,1-2H3/t11-,17-/m0/s1
InChIKeyHJTNWQNSIIVDFB-GTNSWQLSSA-N
MW373.42 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide

N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (PubChem CID 2431390) has the molecular formula C17H21F2NO4S and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
PubChem CID2431390
Molecular FormulaC17H21F2NO4S
Molecular Weight373.42 g/mol
Exact Mass373.12
IUPAC NameN-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1OC(F)F)C(=O)C2
InChIInChI=1S/C17H21F2NO4S/c1-16(2)11-7-8-17(16,14(21)9-11)10-25(22,23)20-12-5-3-4-6-13(12)24-15(18)19/h3-6,11,15,20H,7-10H2,1-2H3/t11-,17-/m0/s1
InChIKeyHJTNWQNSIIVDFB-GTNSWQLSSA-N
XLogP3.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide with MolForge

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Related Compounds

methyl 2-[[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzoate
CID 18532238
2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
CID 7939190
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzenesulfonamide
CID 53322880
N-(2-chloro-6-methylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 51058518
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
CID 59854274
N-benzo[e][1,3]benzothiazol-2-yl-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 8015565
4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379775
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 51109838
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-methyl-N-phenylmethanesulfonamide
CID 6546468
[dihydroxy(phenyl)-λ4-sulfanyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 175132930

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide (CID 2431390) is N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccc1OC(F)F)C(=O)C2.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
The InChIKey is HJTNWQNSIIVDFB-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H21F2NO4S/c1-16(2)11-7-8-17(16,14(21)9-11)10-25(22,23)20-12-5-3-4-6-13(12)24-15(18)19/h3-6,11,15,20H,7-10H2,1-2H3/t11-,17-/m0/s1.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide?
N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide has a molecular weight of 373.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide is sourced from PubChem (CID 2431390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).