N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide

C12H14F2N2O4S — CID 82916178

IUPACN-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
SMILESNS(=O)(=O)c1cc(F)c(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C12H14F2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-4-3-11(17)16-7-1-2-7/h5-7H,1-4H2,(H,16,17)(H2,15,18,19)
InChIKeySKGHQMKHQUDDBA-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.66
Rot. Bonds6

About N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide

N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide (PubChem CID 82916178) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
PubChem CID82916178
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
SMILESNS(=O)(=O)c1cc(F)c(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C12H14F2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-4-3-11(17)16-7-1-2-7/h5-7H,1-4H2,(H,16,17)(H2,15,18,19)
InChIKeySKGHQMKHQUDDBA-UHFFFAOYSA-N
XLogP0.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide (CID 82916178) is N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide is NS(=O)(=O)c1cc(F)c(OCCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide?
The InChIKey is SKGHQMKHQUDDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-9-5-8(21(15,18)19)6-10(14)12(9)20-4-3-11(17)16-7-1-2-7/h5-7H,1-4H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide?
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide has a molecular weight of 320.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).