3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide

C18H16FN5O3S — CID 156816570

IUPAC3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1
InChIInChI=1S/C18H16FN5O3S/c1-10-2-4-11(5-3-10)14-9-22-17(20)16(24-14)18(25)23-12-6-7-15(13(19)8-12)28(21,26)27/h2-9H,1H3,(H2,20,22)(H,23,25)(H2,21,26,27)
InChIKeyWWSXLSZBDCPDOU-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.07
Rot. Bonds4

About 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide

3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 156816570) has the molecular formula C18H16FN5O3S and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID156816570
Molecular FormulaC18H16FN5O3S
Molecular Weight401.42 g/mol
Exact Mass401.10
IUPAC Name3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1
InChIInChI=1S/C18H16FN5O3S/c1-10-2-4-11(5-3-10)14-9-22-17(20)16(24-14)18(25)23-12-6-7-15(13(19)8-12)28(21,26)27/h2-9H,1H3,(H2,20,22)(H,23,25)(H2,21,26,27)
InChIKeyWWSXLSZBDCPDOU-UHFFFAOYSA-N
XLogP2.07
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide (CID 156816570) is 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(N)(=O)=O)c(F)c3)n2)cc1.
What is the InChIKey of 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is WWSXLSZBDCPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3S/c1-10-2-4-11(5-3-10)14-9-22-17(20)16(24-14)18(25)23-12-6-7-15(13(19)8-12)28(21,26)27/h2-9H,1H3,(H2,20,22)(H,23,25)(H2,21,26,27).
What are the key properties of 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide?
3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-sulfamoylphenyl)-6-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156816570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).