5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid

C17H12FNO5S — CID 91688108

IUPAC5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)o1
InChIInChI=1S/C17H12FNO5S/c18-12-4-6-14(7-5-12)25(22,23)19-13-3-1-2-11(10-13)15-8-9-16(24-15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyLCASNFBKKFXXCC-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.58
Rot. Bonds5

About 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid

5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid (PubChem CID 91688108) has the molecular formula C17H12FNO5S and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
PubChem CID91688108
Molecular FormulaC17H12FNO5S
Molecular Weight361.35 g/mol
Exact Mass361.04
IUPAC Name5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)o1
InChIInChI=1S/C17H12FNO5S/c18-12-4-6-14(7-5-12)25(22,23)19-13-3-1-2-11(10-13)15-8-9-16(24-15)17(20)21/h1-10,19H,(H,20,21)
InChIKeyLCASNFBKKFXXCC-UHFFFAOYSA-N
XLogP3.58
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid (CID 91688108) is 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)o1.
What is the InChIKey of 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
The InChIKey is LCASNFBKKFXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO5S/c18-12-4-6-14(7-5-12)25(22,23)19-13-3-1-2-11(10-13)15-8-9-16(24-15)17(20)21/h1-10,19H,(H,20,21).
What are the key properties of 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid?
5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid has a molecular weight of 361.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91688108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).