3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C10H12FNO4S — CID 91551816

IUPAC3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H12FNO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H2,12,13)
InChIKeyJITAARYGTRLOAD-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.16
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 91551816) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID91551816
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H12FNO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H2,12,13)
InChIKeyJITAARYGTRLOAD-UHFFFAOYSA-N
XLogP-0.16
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 91551816) is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is JITAARYGTRLOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H2,12,13).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 261.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 91551816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).