2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid

C19H15FN2O4S — CID 122498552

IUPAC2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(-c2ccccn2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C19H15FN2O4S/c1-12-10-13(17-4-2-3-9-21-17)5-8-18(12)27(25,26)22-14-6-7-15(19(23)24)16(20)11-14/h2-11,22H,1H3,(H,23,24)
InChIKeyLPSNDRHHSJQPIM-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.70
Rot. Bonds5

About 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid

2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid (PubChem CID 122498552) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid
PubChem CID122498552
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(-c2ccccn2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C19H15FN2O4S/c1-12-10-13(17-4-2-3-9-21-17)5-8-18(12)27(25,26)22-14-6-7-15(19(23)24)16(20)11-14/h2-11,22H,1H3,(H,23,24)
InChIKeyLPSNDRHHSJQPIM-UHFFFAOYSA-N
XLogP3.70
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid (CID 122498552) is 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid is Cc1cc(-c2ccccn2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid?
The InChIKey is LPSNDRHHSJQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-12-10-13(17-4-2-3-9-21-17)5-8-18(12)27(25,26)22-14-6-7-15(19(23)24)16(20)11-14/h2-11,22H,1H3,(H,23,24).
What are the key properties of 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid?
2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid has a molecular weight of 386.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 122498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).