2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate

C14H11FNO4S- — CID 3644508

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
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)/p-1
InChIKeyGRLGDWLQWOEJBS-UHFFFAOYSA-M
MW308.31 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate (PubChem CID 3644508) has the molecular formula C14H11FNO4S- and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
PubChem CID3644508
Molecular FormulaC14H11FNO4S-
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
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)/p-1
InChIKeyGRLGDWLQWOEJBS-UHFFFAOYSA-M
XLogP0.92
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
2-[4-[(2-Chlorophenyl)sulfonylamino]phenyl]acetic acid
CID 2465192
4-Fluoro-3-(phenylsulfamoyl)benzoic acid
CID 699907
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
4-[(4-Methylphenyl)sulfamoyl]benzoic acid
CID 2403526
2-[4-[(2-Bromophenyl)sulfonylamino]phenyl]acetic acid
CID 2561060
Ethyl 2-[4-[(4-methylsulfanylphenyl)sulfonylamino]phenyl]acetate
CID 1329176
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-[4-(Benzenesulfonamido)phenyl]propanoic acid
CID 44427702
2-[4-[(2-Ethylphenyl)sulfonylamino]phenyl]propanoic acid
CID 44427704
2-(4-{[(Trifluoromethyl)sulfonyl]amino}phenyl)propanoicacid
CID 44427710
Methyl 4-(((4-fluorophenyl)sulfonyl)amino)benzoate
CID 669144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate (CID 3644508) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate is O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is GRLGDWLQWOEJBS-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate has a molecular weight of 308.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 3644508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).