2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide

C11H16FNO5S2 — CID 43501785

IUPAC2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-11(2,7-14)13-20(17,18)10-6-8(19(3,15)16)4-5-9(10)12/h4-6,13-14H,7H2,1-3H3
InChIKeyFHKMETVEUHXTDT-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.28
Rot. Bonds5

About 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide

2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 43501785) has the molecular formula C11H16FNO5S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
PubChem CID43501785
Molecular FormulaC11H16FNO5S2
Molecular Weight325.38 g/mol
Exact Mass325.05
IUPAC Name2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H16FNO5S2/c1-11(2,7-14)13-20(17,18)10-6-8(19(3,15)16)4-5-9(10)12/h4-6,13-14H,7H2,1-3H3
InChIKeyFHKMETVEUHXTDT-UHFFFAOYSA-N
XLogP0.28
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide (CID 43501785) is 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is FHKMETVEUHXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO5S2/c1-11(2,7-14)13-20(17,18)10-6-8(19(3,15)16)4-5-9(10)12/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide?
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43501785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).