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

C11H7ClFN3O4S — CID 63260008

IUPAC3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFN3O4S/c12-7-5-6(13)1-2-8(7)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyODGVFMRVVDNKJZ-UHFFFAOYSA-N
MW331.71 g/mol
LogP1.77
Rot. Bonds4

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

3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260008) has the molecular formula C11H7ClFN3O4S and a molecular weight of 331.71 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260008
Molecular FormulaC11H7ClFN3O4S
Molecular Weight331.71 g/mol
Exact Mass330.98
IUPAC Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7ClFN3O4S/c12-7-5-6(13)1-2-8(7)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyODGVFMRVVDNKJZ-UHFFFAOYSA-N
XLogP1.77
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63260008) is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is ODGVFMRVVDNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O4S/c12-7-5-6(13)1-2-8(7)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-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 331.71 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).