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

C32H30FNO3S — CID 68543203

IUPAC4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H30FNO3S/c1-3-22(2)31(34-38(36,37)26-20-18-25(33)19-21-26)32(35,29-16-8-12-23-10-4-6-14-27(23)29)30-17-9-13-24-11-5-7-15-28(24)30/h4-22,31,34-35H,3H2,1-2H3/t22-,31-/m0/s1
InChIKeyTWYCMUASZOKQCU-UGDMGKLASA-N
MW527.66 g/mol
LogP6.76
Rot. Bonds8

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

4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide (PubChem CID 68543203) has the molecular formula C32H30FNO3S and a molecular weight of 527.66 g/mol. Its IUPAC name is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide
PubChem CID68543203
Molecular FormulaC32H30FNO3S
Molecular Weight527.66 g/mol
Exact Mass527.19
IUPAC Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H30FNO3S/c1-3-22(2)31(34-38(36,37)26-20-18-25(33)19-21-26)32(35,29-16-8-12-23-10-4-6-14-27(23)29)30-17-9-13-24-11-5-7-15-28(24)30/h4-22,31,34-35H,3H2,1-2H3/t22-,31-/m0/s1
InChIKeyTWYCMUASZOKQCU-UGDMGKLASA-N
XLogP6.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.66
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-fluoro-N-(2-hydroxy-2,4-dimethylhexan-3-yl)benzenesulfonamide
CID 21078753
4-fluoro-N-[(4S,5S)-3-hydroxy-2,5-dimethyl-3-prop-1-en-2-ylhept-1-en-4-yl]benzenesulfonamide
CID 68544690
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936257
(2R,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylpentanoate
CID 6935683
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
N-[(3S,4S)-5-hydroxy-3,7-dimethyl-5-(2-methylpropyl)octan-4-yl]benzenesulfonamide
CID 160670389
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
propan-2-yl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499299
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
3-chloro-N-[(4S,5S)-3-ethyl-3-hydroxy-5-methylheptan-4-yl]benzenesulfonamide
CID 68547034
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide (CID 68543203) is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is TWYCMUASZOKQCU-UGDMGKLASA-N. The full InChI is InChI=1S/C32H30FNO3S/c1-3-22(2)31(34-38(36,37)26-20-18-25(33)19-21-26)32(35,29-16-8-12-23-10-4-6-14-27(23)29)30-17-9-13-24-11-5-7-15-28(24)30/h4-22,31,34-35H,3H2,1-2H3/t22-,31-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methyl-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 527.66 g/mol, XLogP of 6.76, 8 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-1,1-dinaphthalen-1-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 68543203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).