2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid

C17H18FNO5S — CID 14579458

IUPAC2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18FNO5S/c1-12(19-25(22,23)14-5-3-2-4-6-14)9-13-7-8-16(15(18)10-13)24-11-17(20)21/h2-8,10,12,19H,9,11H2,1H3,(H,20,21)
InChIKeyCAVBEPODWIOVIG-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.20
Rot. Bonds8

About 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid

2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid (PubChem CID 14579458) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid
PubChem CID14579458
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid
SMILESCC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18FNO5S/c1-12(19-25(22,23)14-5-3-2-4-6-14)9-13-7-8-16(15(18)10-13)24-11-17(20)21/h2-8,10,12,19H,9,11H2,1H3,(H,20,21)
InChIKeyCAVBEPODWIOVIG-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(benzenesulfonamido)propyl]-2-methoxyphenoxy]acetic acid
CID 14579454
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
5-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(3-phenylpropylamino)propyl]-2-(carboxymethoxy)benzoic acid
CID 10119675
2-[2-amino-4-[2-(benzenesulfonamido)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]acetic acid
CID 21132852
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81265120
2-[2-fluoro-4-[(5-methyl-1-propan-2-ylpyrazol-3-yl)sulfamoyl]phenoxy]acetic acid
CID 136548415
2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
CID 14880086
2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-fluorophenoxy]acetyl]amino]propanoic acid
CID 15714022
3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide
CID 20667034

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid (CID 14579458) is 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid is CC(Cc1ccc(OCC(=O)O)c(F)c1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid?
The InChIKey is CAVBEPODWIOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-12(19-25(22,23)14-5-3-2-4-6-14)9-13-7-8-16(15(18)10-13)24-11-17(20)21/h2-8,10,12,19H,9,11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid?
2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid has a molecular weight of 367.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(benzenesulfonamido)propyl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 14579458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).