4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid

C16H15FN2O5S — CID 1010683

IUPAC4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O5S/c17-11-1-3-13(4-2-11)19-25(23,24)14-7-5-12(6-8-14)18-15(20)9-10-16(21)22/h1-8,19H,9-10H2,(H,18,20)(H,21,22)
InChIKeyUYXFMZOYTZMHFC-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.43
Rot. Bonds7

About 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid

4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid (PubChem CID 1010683) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
PubChem CID1010683
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O5S/c17-11-1-3-13(4-2-11)19-25(23,24)14-7-5-12(6-8-14)18-15(20)9-10-16(21)22/h1-8,19H,9-10H2,(H,18,20)(H,21,22)
InChIKeyUYXFMZOYTZMHFC-UHFFFAOYSA-N
XLogP2.43
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
(3S)-3-acetamido-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-phenylpropanamide
CID 40862928
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880207
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid (CID 1010683) is 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is UYXFMZOYTZMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c17-11-1-3-13(4-2-11)19-25(23,24)14-7-5-12(6-8-14)18-15(20)9-10-16(21)22/h1-8,19H,9-10H2,(H,18,20)(H,21,22).
What are the key properties of 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid?
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 366.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 1010683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).