3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

C10H8FN3O4S — CID 102690908

IUPAC3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H8FN3O4S/c11-7-3-1-2-6(10(15)16)9(7)14-19(17,18)8-4-5-12-13-8/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyMEOACIHBIYIGIQ-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.05
Rot. Bonds4

About 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid

3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (PubChem CID 102690908) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
PubChem CID102690908
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC Name3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H8FN3O4S/c11-7-3-1-2-6(10(15)16)9(7)14-19(17,18)8-4-5-12-13-8/h1-5,14H,(H,12,13)(H,15,16)
InChIKeyMEOACIHBIYIGIQ-UHFFFAOYSA-N
XLogP1.05
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 80583821
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
3-fluoro-2-[(4-iodophenyl)sulfonylamino]benzoic acid
CID 80583769
3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 107049512
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692467
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
3-(1H-pyrazol-5-ylsulfonylamino)thiophene-2-carboxylic acid
CID 102690657
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid (CID 102690908) is 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is O=C(O)c1cccc(F)c1NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
The InChIKey is MEOACIHBIYIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c11-7-3-1-2-6(10(15)16)9(7)14-19(17,18)8-4-5-12-13-8/h1-5,14H,(H,12,13)(H,15,16).
What are the key properties of 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid?
3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid has a molecular weight of 285.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 102690908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).