2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid

C14H11ClFNO5S — CID 56808465

IUPAC2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H11ClFNO5S/c15-11-2-1-3-12(14(11)16)17-23(20,21)10-6-4-9(5-7-10)22-8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeySGCZUDVYPZJIGR-UHFFFAOYSA-N
MW359.76 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid

2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 56808465) has the molecular formula C14H11ClFNO5S and a molecular weight of 359.76 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
PubChem CID56808465
Molecular FormulaC14H11ClFNO5S
Molecular Weight359.76 g/mol
Exact Mass359.00
IUPAC Name2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1
InChIInChI=1S/C14H11ClFNO5S/c15-11-2-1-3-12(14(11)16)17-23(20,21)10-6-4-9(5-7-10)22-8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeySGCZUDVYPZJIGR-UHFFFAOYSA-N
XLogP2.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-bromo-2-chlorophenyl)sulfamoyl]phenoxy]acetic acid
CID 39827198
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate
CID 8934203
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-(3-chloro-2-fluorophenyl)-2-(4-methylphenoxy)acetamide
CID 31507595
N-(3-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28969387

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid (CID 56808465) is 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1.
What is the InChIKey of 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is SGCZUDVYPZJIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO5S/c15-11-2-1-3-12(14(11)16)17-23(20,21)10-6-4-9(5-7-10)22-8-13(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid?
2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 359.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 56808465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).