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

C12H18FNO3S — CID 10084784

IUPAC4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
InChIKeyVFFCFQQRCZTHEU-JOYOIKCWSA-N
MW275.34 g/mol
LogP1.51
Rot. Bonds6

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

4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (PubChem CID 10084784) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
PubChem CID10084784
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
SMILESCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1
InChIKeyVFFCFQQRCZTHEU-JOYOIKCWSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.51
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-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide (CID 10084784) is 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide is CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is VFFCFQQRCZTHEU-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-3-9(2)12(8-15)14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of 4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.51, 6 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-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 10084784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).