2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid

C13H11FN2O4S — CID 103298700

IUPAC2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1
InChIInChI=1S/C13H11FN2O4S/c1-8-4-5-11(9(7-8)13(17)18)16-21(19,20)12-10(14)3-2-6-15-12/h2-7,16H,1H3,(H,17,18)
InChIKeyNIQGLYOXIOGQHX-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.03
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid

2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 103298700) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
PubChem CID103298700
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1
InChIInChI=1S/C13H11FN2O4S/c1-8-4-5-11(9(7-8)13(17)18)16-21(19,20)12-10(14)3-2-6-15-12/h2-7,16H,1H3,(H,17,18)
InChIKeyNIQGLYOXIOGQHX-UHFFFAOYSA-N
XLogP2.03
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298758
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
5-[(3-fluoro-2-pyridinyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 103298683
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid (CID 103298700) is 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2ncccc2F)c(C(=O)O)c1.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is NIQGLYOXIOGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-8-4-5-11(9(7-8)13(17)18)16-21(19,20)12-10(14)3-2-6-15-12/h2-7,16H,1H3,(H,17,18).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid?
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 103298700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).