3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

C11H7F2N3O4S — CID 63259827

IUPAC3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H7F2N3O4S/c12-6-3-7(13)5-8(4-6)21(19,20)16-10-9(11(17)18)14-1-2-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyRODHHIQGLRCRAW-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.25
Rot. Bonds4

About 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63259827) has the molecular formula C11H7F2N3O4S and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63259827
Molecular FormulaC11H7F2N3O4S
Molecular Weight315.26 g/mol
Exact Mass315.01
IUPAC Name3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H7F2N3O4S/c12-6-3-7(13)5-8(4-6)21(19,20)16-10-9(11(17)18)14-1-2-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyRODHHIQGLRCRAW-UHFFFAOYSA-N
XLogP1.25
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chloro-3-trifluoromethyl-benzenesulfonylamino)-pyrazine-2-carboxylic acid
CID 57942381
5-[(3R)-3-carboxy-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 90909760
3-[Ethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141238517
3-[Ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326674
3-[Ethyl-[[2-(trifluoromethylsulfanyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326683
3-[2,2-Difluoroethyl-[(2-iodophenyl)methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326688
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-[(2,6-Difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259873
3-[(4-Chloro-2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259920

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63259827) is 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is RODHHIQGLRCRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O4S/c12-6-3-7(13)5-8(4-6)21(19,20)16-10-9(11(17)18)14-1-2-15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 315.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).