N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide

C13H13FN2O4S — CID 61129803

IUPACN-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)c(C)o1
InChIInChI=1S/C13H13FN2O4S/c1-7-5-10(8(2)20-7)13(17)16-12-6-9(21(15,18)19)3-4-11(12)14/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyXXOGTSGFGPHWKA-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.94
Rot. Bonds3

About N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide

N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 61129803) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID61129803
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)c(C)o1
InChIInChI=1S/C13H13FN2O4S/c1-7-5-10(8(2)20-7)13(17)16-12-6-9(21(15,18)19)3-4-11(12)14/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyXXOGTSGFGPHWKA-UHFFFAOYSA-N
XLogP1.94
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide (CID 61129803) is N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2F)c(C)o1.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XXOGTSGFGPHWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-7-5-10(8(2)20-7)13(17)16-12-6-9(21(15,18)19)3-4-11(12)14/h3-6H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 61129803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).