3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid

C11H16N2O5S — CID 99977266

IUPAC3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid
SMILESCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO
InChIInChI=1S/C11H16N2O5S/c1-2-13-19(17,18)10-7-8(11(15)16)3-4-9(10)12-5-6-14/h3-4,7,12-14H,2,5-6H2,1H3,(H,15,16)
InChIKeyQXUNPRBUCADTIE-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.09
Rot. Bonds7

About 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid

3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid (PubChem CID 99977266) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid
PubChem CID99977266
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid
SMILESCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO
InChIInChI=1S/C11H16N2O5S/c1-2-13-19(17,18)10-7-8(11(15)16)3-4-9(10)12-5-6-14/h3-4,7,12-14H,2,5-6H2,1H3,(H,15,16)
InChIKeyQXUNPRBUCADTIE-UHFFFAOYSA-N
XLogP0.09
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-butan-2-yl]sulfamoyl]-4-(2-hydroxyethylamino)benzoic acid
CID 99977847
4-(2-hydroxyethylamino)-3-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651462
4-(butan-2-ylamino)-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 132650655
4-(butylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977684
4-(2-hydroxyethylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981147
4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979352
3-(2-hydroxyethylsulfamoyl)-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99978634
4-[2-(cyclohexen-1-yl)ethylamino]-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99978619
3-(3-hydroxypropylsulfamoyl)-4-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99978782
4-(3-ethoxypropylamino)-3-(2-methoxyethylsulfamoyl)benzoic acid
CID 99978870
3-(furan-2-ylmethylsulfamoyl)-4-(3-hydroxypropylamino)benzoic acid
CID 99979688
3-[[(2R)-pentan-2-yl]sulfamoyl]-4-(propylamino)benzoic acid
CID 99980772

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid?
The IUPAC name of 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid (CID 99977266) is 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid?
The canonical SMILES for 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid is CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCO.
What is the InChIKey of 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid?
The InChIKey is QXUNPRBUCADTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-13-19(17,18)10-7-8(11(15)16)3-4-9(10)12-5-6-14/h3-4,7,12-14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid?
3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid has a molecular weight of 288.33 g/mol, XLogP of 0.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-(2-hydroxyethylamino)benzoic acid is sourced from PubChem (CID 99977266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).