2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid

C14H12FNO4S — CID 672063

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO4S/c15-11-3-7-13(8-4-11)21(19,20)16-12-5-1-10(2-6-12)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyGRLGDWLQWOEJBS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 672063) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
PubChem CID672063
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO4S/c15-11-3-7-13(8-4-11)21(19,20)16-12-5-1-10(2-6-12)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyGRLGDWLQWOEJBS-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid (CID 672063) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is GRLGDWLQWOEJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-11-3-7-13(8-4-11)21(19,20)16-12-5-1-10(2-6-12)9-14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 672063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).