N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide

C13H15F2NO4S — CID 140683928

IUPACN-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(F)(F)OCCC1CC1)c1ccccc1
InChIInChI=1S/C13H15F2NO4S/c14-13(15,20-9-8-10-6-7-10)21(18,19)16-12(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17)
InChIKeyXRUHYVKNFGDOBP-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.11
Rot. Bonds7

About N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide

N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide (PubChem CID 140683928) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide
PubChem CID140683928
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC NameN-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)C(F)(F)OCCC1CC1)c1ccccc1
InChIInChI=1S/C13H15F2NO4S/c14-13(15,20-9-8-10-6-7-10)21(18,19)16-12(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17)
InChIKeyXRUHYVKNFGDOBP-UHFFFAOYSA-N
XLogP2.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide?
The IUPAC name of N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide (CID 140683928) is N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide.
What is the SMILES notation for N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide?
The canonical SMILES for N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide is O=C(NS(=O)(=O)C(F)(F)OCCC1CC1)c1ccccc1.
What is the InChIKey of N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide?
The InChIKey is XRUHYVKNFGDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-13(15,20-9-8-10-6-7-10)21(18,19)16-12(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17).
What are the key properties of N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide?
N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide has a molecular weight of 319.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropylethoxy(difluoro)methyl]sulfonylbenzamide is sourced from PubChem (CID 140683928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).