3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid

C7H7F3N4O4S — CID 114806100

IUPAC3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O4S/c8-7(9,10)3-13-19(17,18)14-5-4(6(15)16)11-1-2-12-5/h1-2,13H,3H2,(H,12,14)(H,15,16)
InChIKeyCMPLUQUQRXSGPI-UHFFFAOYSA-N
MW300.22 g/mol
LogP-0.02
Rot. Bonds5

About 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid

3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid (PubChem CID 114806100) has the molecular formula C7H7F3N4O4S and a molecular weight of 300.22 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid
PubChem CID114806100
Molecular FormulaC7H7F3N4O4S
Molecular Weight300.22 g/mol
Exact Mass300.01
IUPAC Name3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H7F3N4O4S/c8-7(9,10)3-13-19(17,18)14-5-4(6(15)16)11-1-2-12-5/h1-2,13H,3H2,(H,12,14)(H,15,16)
InChIKeyCMPLUQUQRXSGPI-UHFFFAOYSA-N
XLogP-0.02
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-2-pyrazinecarboxylic acid
CID 72656
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
3-Amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
2-Amino-3-bromopyrazine-5-carboxylic acid
CID 4218930
3-Amino-6-chloro-pyrazine-2-carboxylic acid
CID 12319185
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
3-Amino-5-chloropyrazine-2-carboxylic acid
CID 53418769
3-Amino-5-methylpyrazine-2-carboxylic acid
CID 279233
3-Amino-6-methylpyrazine-2-carboxylic acid
CID 334027
3-(Dimethylamino)pyrazine-2-carboxylic acid
CID 62701467

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid (CID 114806100) is 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid?
The InChIKey is CMPLUQUQRXSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O4S/c8-7(9,10)3-13-19(17,18)14-5-4(6(15)16)11-1-2-12-5/h1-2,13H,3H2,(H,12,14)(H,15,16).
What are the key properties of 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid?
3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid has a molecular weight of 300.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfamoylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 114806100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).