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

C11H15N3O5S — CID 103100991

IUPAC5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-2-14(6-10(13)15)20(18,19)9-4-3-7(12)5-8(9)11(16)17/h3-5H,2,6,12H2,1H3,(H2,13,15)(H,16,17)
InChIKeyLCIFHADPNGDMQK-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.54
Rot. Bonds6

About 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid

5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid (PubChem CID 103100991) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
PubChem CID103100991
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-2-14(6-10(13)15)20(18,19)9-4-3-7(12)5-8(9)11(16)17/h3-5H,2,6,12H2,1H3,(H2,13,15)(H,16,17)
InChIKeyLCIFHADPNGDMQK-UHFFFAOYSA-N
XLogP-0.54
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 103101580
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 102931496
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The IUPAC name of 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid (CID 103100991) is 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The canonical SMILES for 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid is CCN(CC(N)=O)S(=O)(=O)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
The InChIKey is LCIFHADPNGDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-2-14(6-10(13)15)20(18,19)9-4-3-7(12)5-8(9)11(16)17/h3-5H,2,6,12H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid?
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid has a molecular weight of 301.32 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 103100991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).