4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

C11H10FN3O4S — CID 43361420

IUPAC4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2cc(F)ccc2C(=O)O)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(12)2-3-9(10)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyGMPAVVHAOQIFNY-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.06
Rot. Bonds4

About 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 43361420) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID43361420
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2cc(F)ccc2C(=O)O)cn1
InChIInChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(12)2-3-9(10)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyGMPAVVHAOQIFNY-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (CID 43361420) is 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is Cn1cc(S(=O)(=O)Nc2cc(F)ccc2C(=O)O)cn1.
What is the InChIKey of 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is GMPAVVHAOQIFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c1-15-6-8(5-13-15)20(18,19)14-10-4-7(12)2-3-9(10)11(16)17/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
4-fluoro-2-[(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-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43361420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).