4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid

C15H13FN2O6S — CID 167825514

IUPAC4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c(F)c1
InChIInChI=1S/C15H13FN2O6S/c1-8(19)17-9-3-5-14(12(16)6-9)25(23,24)18-10-2-4-11(15(21)22)13(20)7-10/h2-7,18,20H,1H3,(H,17,19)(H,21,22)
InChIKeyAQTKWQXPAQARAY-UHFFFAOYSA-N
MW368.34 g/mol
LogP1.99
Rot. Bonds5

About 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid

4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 167825514) has the molecular formula C15H13FN2O6S and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID167825514
Molecular FormulaC15H13FN2O6S
Molecular Weight368.34 g/mol
Exact Mass368.05
IUPAC Name4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c(F)c1
InChIInChI=1S/C15H13FN2O6S/c1-8(19)17-9-3-5-14(12(16)6-9)25(23,24)18-10-2-4-11(15(21)22)13(20)7-10/h2-7,18,20H,1H3,(H,17,19)(H,21,22)
InChIKeyAQTKWQXPAQARAY-UHFFFAOYSA-N
XLogP1.99
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
CID 70210987
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 167825514) is 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c(F)c1.
What is the InChIKey of 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is AQTKWQXPAQARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6S/c1-8(19)17-9-3-5-14(12(16)6-9)25(23,24)18-10-2-4-11(15(21)22)13(20)7-10/h2-7,18,20H,1H3,(H,17,19)(H,21,22).
What are the key properties of 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid?
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 368.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 167825514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).