2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid

C16H18N2O5S — CID 99983555

IUPAC2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCc1ccccc1
InChIInChI=1S/C16H18N2O5S/c19-9-8-18-24(22,23)13-6-7-15(14(10-13)16(20)21)17-11-12-4-2-1-3-5-12/h1-7,10,17-19H,8-9,11H2,(H,20,21)
InChIKeyYYGBUWHLPLEYND-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.27
Rot. Bonds8

About 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid

2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid (PubChem CID 99983555) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
PubChem CID99983555
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCc1ccccc1
InChIInChI=1S/C16H18N2O5S/c19-9-8-18-24(22,23)13-6-7-15(14(10-13)16(20)21)17-11-12-4-2-1-3-5-12/h1-7,10,17-19H,8-9,11H2,(H,20,21)
InChIKeyYYGBUWHLPLEYND-UHFFFAOYSA-N
XLogP1.27
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986088
5-(3-hydroxypropylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983704
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
2-(ethylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99988211
5-(benzylsulfamoyl)-2-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99984297
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-(tert-butylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99983659
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-(2-phenylethylamino)benzoic acid
CID 99983404

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid (CID 99983555) is 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCO)ccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid?
The InChIKey is YYGBUWHLPLEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-9-8-18-24(22,23)13-6-7-15(14(10-13)16(20)21)17-11-12-4-2-1-3-5-12/h1-7,10,17-19H,8-9,11H2,(H,20,21).
What are the key properties of 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid?
2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid has a molecular weight of 350.40 g/mol, XLogP of 1.27, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99983555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).