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

C12H16N2O6S — CID 103101553

IUPAC5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c1-3-14(7-11(13)15)21(18,19)8-4-5-10(20-2)9(6-8)12(16)17/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeyKCLHFVAVYCUXKH-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.11
Rot. Bonds7

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

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid (PubChem CID 103101553) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
PubChem CID103101553
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O6S/c1-3-14(7-11(13)15)21(18,19)8-4-5-10(20-2)9(6-8)12(16)17/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17)
InChIKeyKCLHFVAVYCUXKH-UHFFFAOYSA-N
XLogP-0.11
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
CID 43374050
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid (CID 103101553) is 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid is CCN(CC(N)=O)S(=O)(=O)c1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid?
The InChIKey is KCLHFVAVYCUXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-3-14(7-11(13)15)21(18,19)8-4-5-10(20-2)9(6-8)12(16)17/h4-6H,3,7H2,1-2H3,(H2,13,15)(H,16,17).
What are the key properties of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid?
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid has a molecular weight of 316.34 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 103101553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).