3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid

C11H12ClFN2O5S — CID 103101580

IUPAC3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C11H12ClFN2O5S/c1-2-15(5-9(14)16)21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4H,2,5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyUUUUSPZDHRCNSI-UHFFFAOYSA-N
MW338.74 g/mol
LogP0.67
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid (PubChem CID 103101580) has the molecular formula C11H12ClFN2O5S and a molecular weight of 338.74 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid
PubChem CID103101580
Molecular FormulaC11H12ClFN2O5S
Molecular Weight338.74 g/mol
Exact Mass338.01
IUPAC Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F
InChIInChI=1S/C11H12ClFN2O5S/c1-2-15(5-9(14)16)21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4H,2,5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyUUUUSPZDHRCNSI-UHFFFAOYSA-N
XLogP0.67
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[ethyl(propyl)sulfamoyl]-2-fluorobenzoic acid
CID 43268489
5-chloro-3-[ethyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzoic acid
CID 61446481
5-chloro-3-ethylsulfonyl-2-fluorobenzoic acid
CID 43140650
5-chloro-2-fluoro-3-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983886
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 54876142
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
3-[(2-amino-2-oxoethyl)sulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 43141064
5-chloro-2-fluoro-3-[methyl(3-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 43570042
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
5-chloro-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
CID 43309816

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid (CID 103101580) is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid is CCN(CC(N)=O)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1F.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid?
The InChIKey is UUUUSPZDHRCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O5S/c1-2-15(5-9(14)16)21(19,20)8-4-6(12)3-7(10(8)13)11(17)18/h3-4H,2,5H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid?
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid has a molecular weight of 338.74 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid is sourced from PubChem (CID 103101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).