2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid

C19H17NO5S — CID 51127325

IUPAC2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NO5S/c1-12-9-16(19(22)23)18(21)17(10-12)26(24,25)20(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,21H,1-2H3,(H,22,23)
InChIKeyYRBPYPFMOHRWMF-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.38
Rot. Bonds4

About 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid

2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid (PubChem CID 51127325) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid
PubChem CID51127325
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17NO5S/c1-12-9-16(19(22)23)18(21)17(10-12)26(24,25)20(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,21H,1-2H3,(H,22,23)
InChIKeyYRBPYPFMOHRWMF-UHFFFAOYSA-N
XLogP3.38
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid (CID 51127325) is 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid is Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid?
The InChIKey is YRBPYPFMOHRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-12-9-16(19(22)23)18(21)17(10-12)26(24,25)20(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-11,21H,1-2H3,(H,22,23).
What are the key properties of 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid?
2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid has a molecular weight of 371.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 51127325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).