2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide

C12H14BrFN2O4S — CID 82917950

IUPAC2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cc(F)c(S(N)(=O)=O)cc1Br)C1CC1
InChIInChI=1S/C12H14BrFN2O4S/c1-16(7-2-3-7)12(17)6-20-10-5-9(14)11(4-8(10)13)21(15,18)19/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyHKJKXVWOAZHYCO-UHFFFAOYSA-N
MW381.22 g/mol
LogP1.24
Rot. Bonds5

About 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide

2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 82917950) has the molecular formula C12H14BrFN2O4S and a molecular weight of 381.22 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID82917950
Molecular FormulaC12H14BrFN2O4S
Molecular Weight381.22 g/mol
Exact Mass379.98
IUPAC Name2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1cc(F)c(S(N)(=O)=O)cc1Br)C1CC1
InChIInChI=1S/C12H14BrFN2O4S/c1-16(7-2-3-7)12(17)6-20-10-5-9(14)11(4-8(10)13)21(15,18)19/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyHKJKXVWOAZHYCO-UHFFFAOYSA-N
XLogP1.24
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 63051843
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
CID 82919302
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 62368885
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide (CID 82917950) is 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1cc(F)c(S(N)(=O)=O)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is HKJKXVWOAZHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O4S/c1-16(7-2-3-7)12(17)6-20-10-5-9(14)11(4-8(10)13)21(15,18)19/h4-5,7H,2-3,6H2,1H3,(H2,15,18,19).
What are the key properties of 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide?
2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 381.22 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 82917950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).