1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide

C18H17F4NO4S2 — CID 46890263

IUPAC1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H17F4NO4S2/c19-14-5-2-6-15(10-14)28(24,25)16-7-8-17-12(9-16)3-1-4-13(17)11-23-29(26,27)18(20,21)22/h2,5-10,13,23H,1,3-4,11H2/t13-/m0/s1
InChIKeyDSLNKKPMYSKZHS-ZDUSSCGKSA-N
MW451.46 g/mol
LogP3.52
Rot. Bonds5

About 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (PubChem CID 46890263) has the molecular formula C18H17F4NO4S2 and a molecular weight of 451.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
PubChem CID46890263
Molecular FormulaC18H17F4NO4S2
Molecular Weight451.46 g/mol
Exact Mass451.05
IUPAC Name1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C18H17F4NO4S2/c19-14-5-2-6-15(10-14)28(24,25)16-7-8-17-12(9-16)3-1-4-13(17)11-23-29(26,27)18(20,21)22/h2,5-10,13,23H,1,3-4,11H2/t13-/m0/s1
InChIKeyDSLNKKPMYSKZHS-ZDUSSCGKSA-N
XLogP3.52
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (CID 46890263) is 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The InChIKey is DSLNKKPMYSKZHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F4NO4S2/c19-14-5-2-6-15(10-14)28(24,25)16-7-8-17-12(9-16)3-1-4-13(17)11-23-29(26,27)18(20,21)22/h2,5-10,13,23H,1,3-4,11H2/t13-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide has a molecular weight of 451.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 46890263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).