2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H18FNO3S — CID 21078475

IUPAC2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO3S/c1-9(2)7-10(8-15)14-18(16,17)12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyKJVWTXWPTMAHDL-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.51
Rot. Bonds6

About 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 21078475) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID21078475
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO3S/c1-9(2)7-10(8-15)14-18(16,17)12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyKJVWTXWPTMAHDL-UHFFFAOYSA-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 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 21078475) is 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is KJVWTXWPTMAHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-9(2)7-10(8-15)14-18(16,17)12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
2-fluoro-N-(1-hydroxy-4-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 2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).