2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid

C17H16N4O5S — CID 55767230

IUPAC2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C17H16N4O5S/c1-10-7-14(22)12(17(23)24)8-15(10)27(25,26)20-13-6-4-3-5-11(13)16-19-18-9-21(16)2/h3-9,20,22H,1-2H3,(H,23,24)
InChIKeyRDSISYUWZJEBFC-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.00
Rot. Bonds5

About 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid

2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 55767230) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID55767230
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C17H16N4O5S/c1-10-7-14(22)12(17(23)24)8-15(10)27(25,26)20-13-6-4-3-5-11(13)16-19-18-9-21(16)2/h3-9,20,22H,1-2H3,(H,23,24)
InChIKeyRDSISYUWZJEBFC-UHFFFAOYSA-N
XLogP2.00
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
2-hydroxy-4-methyl-5-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 43540191
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
CID 47062910
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786417
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid (CID 55767230) is 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C.
What is the InChIKey of 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is RDSISYUWZJEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-10-7-14(22)12(17(23)24)8-15(10)27(25,26)20-13-6-4-3-5-11(13)16-19-18-9-21(16)2/h3-9,20,22H,1-2H3,(H,23,24).
What are the key properties of 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid?
2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 388.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 55767230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).