3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide

C11H16FNO4S — CID 61485134

IUPAC3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCC(C)OCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FNO4S/c1-8(2)16-5-6-17-11-4-3-9(7-10(11)12)18(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyVFOFFRKISHOONW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.28
Rot. Bonds6

About 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide

3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide (PubChem CID 61485134) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
PubChem CID61485134
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
SMILESCC(C)OCCOc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H16FNO4S/c1-8(2)16-5-6-17-11-4-3-9(7-10(11)12)18(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15)
InChIKeyVFOFFRKISHOONW-UHFFFAOYSA-N
XLogP1.28
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
3-fluoro-4-octoxybenzenesulfonamide
CID 43342399
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
2-cyclopropyl-N-[2-(2-fluoro-4-sulfamoylphenoxy)ethyl]-N-methylpropanamide
CID 126815373
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
CID 168968780
3-fluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82921786
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide (CID 61485134) is 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide is CC(C)OCCOc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide?
The InChIKey is VFOFFRKISHOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-8(2)16-5-6-17-11-4-3-9(7-10(11)12)18(13,14)15/h3-4,7-8H,5-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide?
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide is sourced from PubChem (CID 61485134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).