2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid

C12H8ClFN2O4S — CID 103298758

IUPAC2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-9-6-7(3-4-8(9)12(17)18)16-21(19,20)11-10(14)2-1-5-15-11/h1-6,16H,(H,17,18)
InChIKeyUKZNQTVFSHLTHW-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid

2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 103298758) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
PubChem CID103298758
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-9-6-7(3-4-8(9)12(17)18)16-21(19,20)11-10(14)2-1-5-15-11/h1-6,16H,(H,17,18)
InChIKeyUKZNQTVFSHLTHW-UHFFFAOYSA-N
XLogP2.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
N-(4-chloro-3-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299415
3-fluoro-N-naphthalen-2-ylpyridine-2-sulfonamide
CID 103299396
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299384
3-amino-N-(3-chloro-4-methylphenyl)pyridine-2-sulfonamide
CID 103303099
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid (CID 103298758) is 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ncccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is UKZNQTVFSHLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-9-6-7(3-4-8(9)12(17)18)16-21(19,20)11-10(14)2-1-5-15-11/h1-6,16H,(H,17,18).
What are the key properties of 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid?
2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 330.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 103298758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).