3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

C11H7BrFN3O4S — CID 107649888

IUPAC3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyOZOLUTXATHVSGT-UHFFFAOYSA-N
MW376.16 g/mol
LogP1.88
Rot. Bonds4

About 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 107649888) has the molecular formula C11H7BrFN3O4S and a molecular weight of 376.16 g/mol. Its IUPAC name is 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID107649888
Molecular FormulaC11H7BrFN3O4S
Molecular Weight376.16 g/mol
Exact Mass374.93
IUPAC Name3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H7BrFN3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyOZOLUTXATHVSGT-UHFFFAOYSA-N
XLogP1.88
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Bromophenyl)methylsulfonyl-(2,2-difluoroethyl)amino]pyrazine-2-carboxylic acid
CID 141326669
3-[(2-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259779
3-[(4-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259780
3-[(3-Chloro-2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259782
3-[(3-Chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259825
3-[(3,5-Difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259827
3-[(2,6-Difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259873
3-[(4-Chloro-2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259920
3-[(2-Chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260008
3-[(2-Fluoro-5-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260187
3-[(3-Fluoro-4-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260188
3-[(2,4-Difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260269

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 107649888) is 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is OZOLUTXATHVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O4S/c12-7-2-1-6(5-8(7)13)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 376.16 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107649888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).