3-[2-(ethylsulfamoyl)ethylamino]benzoic acid

C11H16N2O4S — CID 106342809

IUPAC3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
SMILESCCNS(=O)(=O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-2-13-18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12-13H,2,6-7H2,1H3,(H,14,15)
InChIKeyQHTQYHGIFJEGEO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.74
Rot. Bonds7

About 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid

3-[2-(ethylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106342809) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
PubChem CID106342809
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
SMILESCCNS(=O)(=O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-2-13-18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12-13H,2,6-7H2,1H3,(H,14,15)
InChIKeyQHTQYHGIFJEGEO-UHFFFAOYSA-N
XLogP0.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
CID 106342831
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
3-chloro-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342805
3-(methylsulfonylmethylamino)benzoic acid
CID 68815004
3-(2-ethoxyethylamino)benzoic acid
CID 102822375
3-[3-(2-chloroethylsulfonyl)propylamino]benzoic acid
CID 54086500
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
3-[(2-methyl-2-methylsulfonylpropyl)amino]benzoic acid
CID 102823160
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-(2-methylsulfinylethylamino)benzoic acid
CID 102823367
3-(2-phenylethylamino)benzoic acid
CID 43139401

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid (CID 106342809) is 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid is CCNS(=O)(=O)CCNc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is QHTQYHGIFJEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-13-18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12-13H,2,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106342809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).