1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide

C19H26FNO3S — CID 90624217

IUPAC1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26FNO3S/c1-24-19(16-7-14-6-15(9-16)10-17(19)8-14)12-21-25(22,23)11-13-2-4-18(20)5-3-13/h2-5,14-17,21H,6-12H2,1H3
InChIKeyUIUKDGGAGGFMAH-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide (PubChem CID 90624217) has the molecular formula C19H26FNO3S and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
PubChem CID90624217
Molecular FormulaC19H26FNO3S
Molecular Weight367.49 g/mol
Exact Mass367.16
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26FNO3S/c1-24-19(16-7-14-6-15(9-16)10-17(19)8-14)12-21-25(22,23)11-13-2-4-18(20)5-3-13/h2-5,14-17,21H,6-12H2,1H3
InChIKeyUIUKDGGAGGFMAH-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide (CID 90624217) is 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide is COC1(CNS(=O)(=O)Cc2ccc(F)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide?
The InChIKey is UIUKDGGAGGFMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3S/c1-24-19(16-7-14-6-15(9-16)10-17(19)8-14)12-21-25(22,23)11-13-2-4-18(20)5-3-13/h2-5,14-17,21H,6-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide has a molecular weight of 367.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide is sourced from PubChem (CID 90624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).