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

C12H10FN3O4S — CID 63260397

IUPAC3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)16-11-10(12(17)18)14-5-6-15-11/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyKIAJLUGZRLXNLT-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.26
Rot. Bonds5

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

3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260397) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260397
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H10FN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)16-11-10(12(17)18)14-5-6-15-11/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyKIAJLUGZRLXNLT-UHFFFAOYSA-N
XLogP1.26
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid (CID 63260397) is 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is KIAJLUGZRLXNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)16-11-10(12(17)18)14-5-6-15-11/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid?
3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).