N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide

C13H20FNO3S — CID 67868222

IUPACN-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CC(F)CO
InChIInChI=1S/C13H20FNO3S/c1-13(2,3)15-19(17,18)12-7-5-4-6-10(12)8-11(14)9-16/h4-7,11,15-16H,8-9H2,1-3H3
InChIKeyGZFPCZSHRDERFR-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.64
Rot. Bonds5

About N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide

N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide (PubChem CID 67868222) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide
PubChem CID67868222
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CC(F)CO
InChIInChI=1S/C13H20FNO3S/c1-13(2,3)15-19(17,18)12-7-5-4-6-10(12)8-11(14)9-16/h4-7,11,15-16H,8-9H2,1-3H3
InChIKeyGZFPCZSHRDERFR-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide (CID 67868222) is N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1CC(F)CO.
What is the InChIKey of N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide?
The InChIKey is GZFPCZSHRDERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-13(2,3)15-19(17,18)12-7-5-4-6-10(12)8-11(14)9-16/h4-7,11,15-16H,8-9H2,1-3H3.
What are the key properties of N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide?
N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 67868222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).