4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

C11H10FN3O4S — CID 47257775

IUPAC4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(11(16)17)2-3-9(10)12/h2-6,14H,1H3,(H,16,17)
InChIKeyXBURSXDUZWRTOW-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds4

About 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 47257775) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID47257775
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(11(16)17)2-3-9(10)12/h2-6,14H,1H3,(H,16,17)
InChIKeyXBURSXDUZWRTOW-UHFFFAOYSA-N
XLogP1.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-fluorobenzoic acid
CID 51099437
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 43361422
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43555600
4-fluoro-3-(2-methylpropylsulfonylamino)benzoic acid
CID 63000374
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (CID 47257775) is 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is Cn1cc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cn1.
What is the InChIKey of 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is XBURSXDUZWRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(11(16)17)2-3-9(10)12/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 47257775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).