2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid

C11H12N4O5S — CID 106281481

IUPAC2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ncn[nH]1
InChIInChI=1S/C11H12N4O5S/c1-6(10-12-5-13-14-10)15-21(19,20)7-2-3-9(16)8(4-7)11(17)18/h2-6,15-16H,1H3,(H,17,18)(H,12,13,14)
InChIKeyVUWJUYNRIIMYPQ-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.25
Rot. Bonds5

About 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid

2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid (PubChem CID 106281481) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
PubChem CID106281481
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ncn[nH]1
InChIInChI=1S/C11H12N4O5S/c1-6(10-12-5-13-14-10)15-21(19,20)7-2-3-9(16)8(4-7)11(17)18/h2-6,15-16H,1H3,(H,17,18)(H,12,13,14)
InChIKeyVUWJUYNRIIMYPQ-UHFFFAOYSA-N
XLogP0.25
TPSA145.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208820
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
4-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283902
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112
4-(2-hydroxyethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283922
5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
CID 104827574
4-methyl-3-(methylaminomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283858
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
CID 82945005
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
3-fluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106282414

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid (CID 106281481) is 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid is CC(NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ncn[nH]1.
What is the InChIKey of 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is VUWJUYNRIIMYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-6(10-12-5-13-14-10)15-21(19,20)7-2-3-9(16)8(4-7)11(17)18/h2-6,15-16H,1H3,(H,17,18)(H,12,13,14).
What are the key properties of 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid?
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 312.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 106281481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).