3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid

C16H18N2O4S — CID 166258388

IUPAC3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cccnc2C)c1
InChIInChI=1S/C16H18N2O4S/c1-11-8-14(16(19)20)10-15(9-11)23(21,22)18-7-5-13-4-3-6-17-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,19,20)
InChIKeyRILAINCGOQJJHU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.92
Rot. Bonds6

About 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid

3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid (PubChem CID 166258388) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid
PubChem CID166258388
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cccnc2C)c1
InChIInChI=1S/C16H18N2O4S/c1-11-8-14(16(19)20)10-15(9-11)23(21,22)18-7-5-13-4-3-6-17-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,19,20)
InChIKeyRILAINCGOQJJHU-UHFFFAOYSA-N
XLogP1.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[2-(6-methylpyrazin-2-yl)ethylsulfamoyl]benzoic acid
CID 167811320
3-[(3-ethyl-2-pyridinyl)methylsulfamoyl]-5-methylbenzamide
CID 167795356
3-methyl-5-(methylsulfamoyl)benzoic acid
CID 165450547
3-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144820
3-[2-[2-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoic acid
CID 167955743
3-(2-methoxyethylsulfamoyl)-5-pyridin-4-ylbenzoic acid
CID 56870747
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-bromo-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
CID 4112319
3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid
CID 56861914
3-(1-benzofuran-6-ylmethylsulfamoyl)-5-methylbenzoic acid
CID 167779576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid (CID 166258388) is 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)NCCc2cccnc2C)c1.
What is the InChIKey of 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid?
The InChIKey is RILAINCGOQJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-8-14(16(19)20)10-15(9-11)23(21,22)18-7-5-13-4-3-6-17-12(13)2/h3-4,6,8-10,18H,5,7H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid?
3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid has a molecular weight of 334.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(2-methyl-3-pyridinyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 166258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).