N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

C19H20F3NO5S — CID 100731774

IUPACN-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H20F3NO5S/c1-27-14-8-9-15-13(11-14)5-4-10-18(15,24)12-23-29(25,26)17-7-3-2-6-16(17)28-19(20,21)22/h2-3,6-9,11,23-24H,4-5,10,12H2,1H3/t18-/m1/s1
InChIKeyGXGVPAALYBXLAS-GOSISDBHSA-N
MW431.43 g/mol
LogP3.10
Rot. Bonds6

About N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 100731774) has the molecular formula C19H20F3NO5S and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID100731774
Molecular FormulaC19H20F3NO5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC NameN-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H20F3NO5S/c1-27-14-8-9-15-13(11-14)5-4-10-18(15,24)12-23-29(25,26)17-7-3-2-6-16(17)28-19(20,21)22/h2-3,6-9,11,23-24H,4-5,10,12H2,1H3/t18-/m1/s1
InChIKeyGXGVPAALYBXLAS-GOSISDBHSA-N
XLogP3.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 91631140
2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
CID 100731565
methyl 3-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methylsulfamoyl]-4-methoxybenzoate
CID 100731990
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 91631137
methyl 3-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 100731729
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631146
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-2-methylbenzenesulfonamide
CID 110294640
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 100731774) is N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GXGVPAALYBXLAS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F3NO5S/c1-27-14-8-9-15-13(11-14)5-4-10-18(15,24)12-23-29(25,26)17-7-3-2-6-16(17)28-19(20,21)22/h2-3,6-9,11,23-24H,4-5,10,12H2,1H3/t18-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 431.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 100731774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).