2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid

C15H13F2NO5S — CID 51127956

IUPAC2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1OCC(=O)O
InChIInChI=1S/C15H13F2NO5S/c1-9-4-13(2-3-14(9)23-8-15(19)20)24(21,22)18-12-6-10(16)5-11(17)7-12/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyRNHURYFSUYBJIL-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid

2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid (PubChem CID 51127956) has the molecular formula C15H13F2NO5S and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
PubChem CID51127956
Molecular FormulaC15H13F2NO5S
Molecular Weight357.33 g/mol
Exact Mass357.05
IUPAC Name2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1OCC(=O)O
InChIInChI=1S/C15H13F2NO5S/c1-9-4-13(2-3-14(9)23-8-15(19)20)24(21,22)18-12-6-10(16)5-11(17)7-12/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyRNHURYFSUYBJIL-UHFFFAOYSA-N
XLogP2.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
methyl 2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 3457801
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3895993
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28555605
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 41032281

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid (CID 51127956) is 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid is Cc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid?
The InChIKey is RNHURYFSUYBJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5S/c1-9-4-13(2-3-14(9)23-8-15(19)20)24(21,22)18-12-6-10(16)5-11(17)7-12/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid?
2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid has a molecular weight of 357.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 51127956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).