2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid

C22H16FN3O4S — CID 146601045

IUPAC2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C22H16FN3O4S/c23-19-14-17(8-10-21(19)26-12-4-11-24-26)31(29,30)25-20-13-16(7-9-18(20)22(27)28)15-5-2-1-3-6-15/h1-14,25H,(H,27,28)
InChIKeyOTXWLTKYVZAGOY-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.18
Rot. Bonds6

About 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid

2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid (PubChem CID 146601045) has the molecular formula C22H16FN3O4S and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid
PubChem CID146601045
Molecular FormulaC22H16FN3O4S
Molecular Weight437.45 g/mol
Exact Mass437.08
IUPAC Name2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C22H16FN3O4S/c23-19-14-17(8-10-21(19)26-12-4-11-24-26)31(29,30)25-20-13-16(7-9-18(20)22(27)28)15-5-2-1-3-6-15/h1-14,25H,(H,27,28)
InChIKeyOTXWLTKYVZAGOY-UHFFFAOYSA-N
XLogP4.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid (CID 146601045) is 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid?
The InChIKey is OTXWLTKYVZAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c23-19-14-17(8-10-21(19)26-12-4-11-24-26)31(29,30)25-20-13-16(7-9-18(20)22(27)28)15-5-2-1-3-6-15/h1-14,25H,(H,27,28).
What are the key properties of 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid?
2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid has a molecular weight of 437.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-pyrazol-1-ylphenyl)sulfonylamino]-4-phenylbenzoic acid is sourced from PubChem (CID 146601045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).