4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide

C11H16FNO3S — CID 80695433

IUPAC4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCCF
InChIInChI=1S/C11H16FNO3S/c1-8(2)10-7-9(17(13,14)15)3-4-11(10)16-6-5-12/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyJHLRGYKWIFFYKN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.81
Rot. Bonds5

About 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide

4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide (PubChem CID 80695433) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
PubChem CID80695433
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCCF
InChIInChI=1S/C11H16FNO3S/c1-8(2)10-7-9(17(13,14)15)3-4-11(10)16-6-5-12/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyJHLRGYKWIFFYKN-UHFFFAOYSA-N
XLogP1.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154
4-but-3-ynoxy-3-propan-2-ylbenzenesulfonamide
CID 82914375
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82913829
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
2-(2-propan-2-yl-4-sulfamoylphenoxy)propanamide
CID 82914671
3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808
4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82912697
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide (CID 80695433) is 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide?
The InChIKey is JHLRGYKWIFFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-8(2)10-7-9(17(13,14)15)3-4-11(10)16-6-5-12/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide?
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 80695433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).