2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid

C15H14FNO5S — CID 169440658

IUPAC2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)ccc1F
InChIInChI=1S/C15H14FNO5S/c1-10-8-11(2-7-14(10)16)17-23(20,21)13-5-3-12(4-6-13)22-9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyXYYOMQTVXTYYGV-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.40
Rot. Bonds6

About 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid

2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 169440658) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
PubChem CID169440658
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)ccc1F
InChIInChI=1S/C15H14FNO5S/c1-10-8-11(2-7-14(10)16)17-23(20,21)13-5-3-12(4-6-13)22-9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyXYYOMQTVXTYYGV-UHFFFAOYSA-N
XLogP2.40
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553530
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid (CID 169440658) is 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid is Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)ccc1F.
What is the InChIKey of 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is XYYOMQTVXTYYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-10-8-11(2-7-14(10)16)17-23(20,21)13-5-3-12(4-6-13)22-9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid?
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 339.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 169440658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).