2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide

C11H12F2N2O3S — CID 169187237

IUPAC2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide
SMILESNC(=O)c1cc(S(=O)(=O)NC2(CF)CC2)ccc1F
InChIInChI=1S/C11H12F2N2O3S/c12-6-11(3-4-11)15-19(17,18)7-1-2-9(13)8(5-7)10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyCTKMUUUDUJCKAR-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.70
Rot. Bonds5

About 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide

2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide (PubChem CID 169187237) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide
PubChem CID169187237
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide
SMILESNC(=O)c1cc(S(=O)(=O)NC2(CF)CC2)ccc1F
InChIInChI=1S/C11H12F2N2O3S/c12-6-11(3-4-11)15-19(17,18)7-1-2-9(13)8(5-7)10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyCTKMUUUDUJCKAR-UHFFFAOYSA-N
XLogP0.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide?
The IUPAC name of 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide (CID 169187237) is 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide is NC(=O)c1cc(S(=O)(=O)NC2(CF)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide?
The InChIKey is CTKMUUUDUJCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-6-11(3-4-11)15-19(17,18)7-1-2-9(13)8(5-7)10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16).
What are the key properties of 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide?
2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide has a molecular weight of 290.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-(fluoromethyl)cyclopropyl]sulfamoyl]benzamide is sourced from PubChem (CID 169187237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).