4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide

C19H24FNO3S — CID 21078594

IUPAC4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccccc1C
InChIInChI=1S/C19H24FNO3S/c1-4-13(2)18(19(22)17-8-6-5-7-14(17)3)21-25(23,24)16-11-9-15(20)10-12-16/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyHMOBYXWOFQSDKS-SVZSNDTQSA-N
MW365.47 g/mol
LogP3.56
Rot. Bonds7

About 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide

4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide (PubChem CID 21078594) has the molecular formula C19H24FNO3S and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide
PubChem CID21078594
Molecular FormulaC19H24FNO3S
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccccc1C
InChIInChI=1S/C19H24FNO3S/c1-4-13(2)18(19(22)17-8-6-5-7-14(17)3)21-25(23,24)16-11-9-15(20)10-12-16/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1
InChIKeyHMOBYXWOFQSDKS-SVZSNDTQSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide (CID 21078594) is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccccc1C.
What is the InChIKey of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide?
The InChIKey is HMOBYXWOFQSDKS-SVZSNDTQSA-N. The full InChI is InChI=1S/C19H24FNO3S/c1-4-13(2)18(19(22)17-8-6-5-7-14(17)3)21-25(23,24)16-11-9-15(20)10-12-16/h5-13,18-19,21-22H,4H2,1-3H3/t13-,18-,19?/m0/s1.
What are the key properties of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide has a molecular weight of 365.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-(2-methylphenyl)pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 21078594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).