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

C18H20FNO4S2 — CID 11639865

IUPACN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C18H20FNO4S2/c1-25(21,22)20-12-14-5-2-4-13-10-17(8-9-18(13)14)26(23,24)16-7-3-6-15(19)11-16/h3,6-11,14,20H,2,4-5,12H2,1H3/t14-/m0/s1
InChIKeyQVHNGLRPAQDRMO-AWEZNQCLSA-N
MW397.49 g/mol
LogP2.63
Rot. Bonds5

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

N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (PubChem CID 11639865) has the molecular formula C18H20FNO4S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
PubChem CID11639865
Molecular FormulaC18H20FNO4S2
Molecular Weight397.49 g/mol
Exact Mass397.08
IUPAC NameN-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C18H20FNO4S2/c1-25(21,22)20-12-14-5-2-4-13-10-17(8-9-18(13)14)26(23,24)16-7-3-6-15(19)11-16/h3,6-11,14,20H,2,4-5,12H2,1H3/t14-/m0/s1
InChIKeyQVHNGLRPAQDRMO-AWEZNQCLSA-N
XLogP2.63
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide (CID 11639865) is N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
The InChIKey is QVHNGLRPAQDRMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FNO4S2/c1-25(21,22)20-12-14-5-2-4-13-10-17(8-9-18(13)14)26(23,24)16-7-3-6-15(19)11-16/h3,6-11,14,20H,2,4-5,12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide?
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide has a molecular weight of 397.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 11639865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).