2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

C10H7F2N3O4S — CID 47267597

IUPAC2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cn[nH]c2)c(F)cc1F
InChIInChI=1S/C10H7F2N3O4S/c11-7-2-8(12)9(1-6(7)10(16)17)15-20(18,19)5-3-13-14-4-5/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyLYOREXYXRXRQEA-UHFFFAOYSA-N
MW303.25 g/mol
LogP1.19
Rot. Bonds4

About 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (PubChem CID 47267597) has the molecular formula C10H7F2N3O4S and a molecular weight of 303.25 g/mol. Its IUPAC name is 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
PubChem CID47267597
Molecular FormulaC10H7F2N3O4S
Molecular Weight303.25 g/mol
Exact Mass303.01
IUPAC Name2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cn[nH]c2)c(F)cc1F
InChIInChI=1S/C10H7F2N3O4S/c11-7-2-8(12)9(1-6(7)10(16)17)15-20(18,19)5-3-13-14-4-5/h1-4,15H,(H,13,14)(H,16,17)
InChIKeyLYOREXYXRXRQEA-UHFFFAOYSA-N
XLogP1.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The IUPAC name of 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (CID 47267597) is 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cn[nH]c2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The InChIKey is LYOREXYXRXRQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O4S/c11-7-2-8(12)9(1-6(7)10(16)17)15-20(18,19)5-3-13-14-4-5/h1-4,15H,(H,13,14)(H,16,17).
What are the key properties of 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid has a molecular weight of 303.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 47267597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).