3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

C11H10FN3O4S — CID 80583821

IUPAC3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-6-9(5-13-14-6)20(18,19)15-10-7(11(16)17)3-2-4-8(10)12/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyDKIPKQKWIUJKMT-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.36
Rot. Bonds4

About 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 80583821) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID80583821
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C11H10FN3O4S/c1-6-9(5-13-14-6)20(18,19)15-10-7(11(16)17)3-2-4-8(10)12/h2-5,15H,1H3,(H,13,14)(H,16,17)
InChIKeyDKIPKQKWIUJKMT-UHFFFAOYSA-N
XLogP1.36
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 60910950
3-fluoro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 102690908
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064
3-fluoro-2-[(4-iodophenyl)sulfonylamino]benzoic acid
CID 80583769
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (CID 80583821) is 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is Cc1[nH]ncc1S(=O)(=O)Nc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is DKIPKQKWIUJKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-6-9(5-13-14-6)20(18,19)15-10-7(11(16)17)3-2-4-8(10)12/h2-5,15H,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 80583821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).