3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid

C11H14N2O5S — CID 103101549

IUPAC3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-2-13(7-10(12)14)19(17,18)9-5-3-4-8(6-9)11(15)16/h3-6H,2,7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyXFRZYTUHCIYMDC-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.12
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid (PubChem CID 103101549) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
PubChem CID103101549
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O5S/c1-2-13(7-10(12)14)19(17,18)9-5-3-4-8(6-9)11(15)16/h3-6H,2,7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyXFRZYTUHCIYMDC-UHFFFAOYSA-N
XLogP-0.12
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 54876671
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid (CID 103101549) is 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid is CCN(CC(N)=O)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The InChIKey is XFRZYTUHCIYMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-2-13(7-10(12)14)19(17,18)9-5-3-4-8(6-9)11(15)16/h3-6H,2,7H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.12, 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]benzoic acid is sourced from PubChem (CID 103101549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).