4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

C12H8BrFN2O4S — CID 63650957

IUPAC4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C12H8BrFN2O4S/c13-9-5-7(14)1-2-11(9)21(19,20)16-8-3-4-15-10(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyFBAMOFQTOJNRIB-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.48
Rot. Bonds4

About 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63650957) has the molecular formula C12H8BrFN2O4S and a molecular weight of 375.18 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63650957
Molecular FormulaC12H8BrFN2O4S
Molecular Weight375.18 g/mol
Exact Mass373.94
IUPAC Name4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1
InChIInChI=1S/C12H8BrFN2O4S/c13-9-5-7(14)1-2-11(9)21(19,20)16-8-3-4-15-10(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyFBAMOFQTOJNRIB-UHFFFAOYSA-N
XLogP2.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915192
2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018509
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63650957) is 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccn1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is FBAMOFQTOJNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4S/c13-9-5-7(14)1-2-11(9)21(19,20)16-8-3-4-15-10(6-8)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 375.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).