2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid

C16H18N2O4S — CID 154742969

IUPAC2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
SMILESCc1ccnc(CNS(=O)(=O)c2cc(C)c(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H18N2O4S/c1-10-4-5-17-13(6-10)9-18-23(21,22)14-7-11(2)12(3)15(8-14)16(19)20/h4-8,18H,9H2,1-3H3,(H,19,20)
InChIKeyHELBDRJKKJRRAZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.18
Rot. Bonds5

About 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid

2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid (PubChem CID 154742969) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
PubChem CID154742969
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
SMILESCc1ccnc(CNS(=O)(=O)c2cc(C)c(C)c(C(=O)O)c2)c1
InChIInChI=1S/C16H18N2O4S/c1-10-4-5-17-13(6-10)9-18-23(21,22)14-7-11(2)12(3)15(8-14)16(19)20/h4-8,18H,9H2,1-3H3,(H,19,20)
InChIKeyHELBDRJKKJRRAZ-UHFFFAOYSA-N
XLogP2.18
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid (CID 154742969) is 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid is Cc1ccnc(CNS(=O)(=O)c2cc(C)c(C)c(C(=O)O)c2)c1.
What is the InChIKey of 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid?
The InChIKey is HELBDRJKKJRRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-4-5-17-13(6-10)9-18-23(21,22)14-7-11(2)12(3)15(8-14)16(19)20/h4-8,18H,9H2,1-3H3,(H,19,20).
What are the key properties of 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid?
2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid has a molecular weight of 334.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 154742969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).