2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide

C19H24FNO4S — CID 68541981

IUPAC2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H24FNO4S/c1-4-13(2)18(19(22)14-9-11-15(25-3)12-10-14)21-26(23,24)17-8-6-5-7-16(17)20/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyPTGXZKKSBOGMCY-SVZSNDTQSA-N
MW381.47 g/mol
LogP3.26
Rot. Bonds8

About 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 68541981) has the molecular formula C19H24FNO4S and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID68541981
Molecular FormulaC19H24FNO4S
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H24FNO4S/c1-4-13(2)18(19(22)14-9-11-15(25-3)12-10-14)21-26(23,24)17-8-6-5-7-16(17)20/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyPTGXZKKSBOGMCY-SVZSNDTQSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68543467
2-fluoro-N-[(2S)-1-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24553905
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
N-[(1S,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97326001
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97325999
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-nitrobenzenesulfonamide
CID 28635365
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56524656

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide (CID 68541981) is 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1F)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is PTGXZKKSBOGMCY-SVZSNDTQSA-N. The full InChI is InChI=1S/C19H24FNO4S/c1-4-13(2)18(19(22)14-9-11-15(25-3)12-10-14)21-26(23,24)17-8-6-5-7-16(17)20/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1.
What are the key properties of 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 381.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 68541981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).