2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol

C19H21F2NO3S — CID 59207177

IUPAC2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1F)CCC[C@H]2CNCCO
InChIInChI=1S/C19H21F2NO3S/c20-14-4-2-5-15(11-14)26(24,25)18-8-7-16-13(12-22-9-10-23)3-1-6-17(16)19(18)21/h2,4-5,7-8,11,13,22-23H,1,3,6,9-10,12H2/t13-/m0/s1
InChIKeyJSYDDERRIRUBJB-ZDUSSCGKSA-N
MW381.44 g/mol
LogP2.80
Rot. Bonds6

About 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol

2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol (PubChem CID 59207177) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
PubChem CID59207177
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC Name2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1F)CCC[C@H]2CNCCO
InChIInChI=1S/C19H21F2NO3S/c20-14-4-2-5-15(11-14)26(24,25)18-8-7-16-13(12-22-9-10-23)3-1-6-17(16)19(18)21/h2,4-5,7-8,11,13,22-23H,1,3,6,9-10,12H2/t13-/m0/s1
InChIKeyJSYDDERRIRUBJB-ZDUSSCGKSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 23634519
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]ethanol
CID 58869142
2-[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 66651542
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
2-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-1,4-dihydroimidazol-5-one
CID 66651314
3-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 141148482
3-fluoro-N-[(5S)-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68830238
ethyl 2-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]acetate;ethyl 2-oxoacetate;[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 161163597
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
2-[7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]acetyl chloride
CID 58668691

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol?
The IUPAC name of 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol (CID 59207177) is 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol?
The canonical SMILES for 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1F)CCC[C@H]2CNCCO.
What is the InChIKey of 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol?
The InChIKey is JSYDDERRIRUBJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c20-14-4-2-5-15(11-14)26(24,25)18-8-7-16-13(12-22-9-10-23)3-1-6-17(16)19(18)21/h2,4-5,7-8,11,13,22-23H,1,3,6,9-10,12H2/t13-/m0/s1.
What are the key properties of 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol?
2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol has a molecular weight of 381.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-5-fluoro-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethanol is sourced from PubChem (CID 59207177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).