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

C22H24FNO3S — CID 68542474

IUPAC4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C22H24FNO3S/c1-3-15(2)21(24-28(26,27)18-13-11-17(23)12-14-18)22(25)20-10-6-8-16-7-4-5-9-19(16)20/h4-15,21-22,24-25H,3H2,1-2H3/t15-,21-,22?/m0/s1
InChIKeyZUOVHPQOOZRVRH-NCMGMYTPSA-N
MW401.50 g/mol
LogP4.41
Rot. Bonds7

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

4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide (PubChem CID 68542474) has the molecular formula C22H24FNO3S and a molecular weight of 401.50 g/mol. Its IUPAC name is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide
PubChem CID68542474
Molecular FormulaC22H24FNO3S
Molecular Weight401.50 g/mol
Exact Mass401.15
IUPAC Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C22H24FNO3S/c1-3-15(2)21(24-28(26,27)18-13-11-17(23)12-14-18)22(25)20-10-6-8-16-7-4-5-9-19(16)20/h4-15,21-22,24-25H,3H2,1-2H3/t15-,21-,22?/m0/s1
InChIKeyZUOVHPQOOZRVRH-NCMGMYTPSA-N
XLogP4.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884100
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884101
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 129884108
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl)benzenesulfonamide
CID 129884155
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884179
N-[(1S,2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]cyclohex-3-en-1-yl]-4-methylbenzenesulfonamide
CID 154719290
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnaphthalene-2-sulfonamide
CID 3363192
N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 2755296
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 10642736
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 10902825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide (CID 68542474) is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)c1cccc2ccccc12.
What is the InChIKey of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is ZUOVHPQOOZRVRH-NCMGMYTPSA-N. The full InChI is InChI=1S/C22H24FNO3S/c1-3-15(2)21(24-28(26,27)18-13-11-17(23)12-14-18)22(25)20-10-6-8-16-7-4-5-9-19(16)20/h4-15,21-22,24-25H,3H2,1-2H3/t15-,21-,22?/m0/s1.
What are the key properties of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 401.50 g/mol, XLogP of 4.41, 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-naphthalen-1-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 68542474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).