3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid

C16H14N4O5S — CID 167803642

IUPAC3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid
SMILESCc1noc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3C)cn2)n1
InChIInChI=1S/C16H14N4O5S/c1-9-7-11(16(21)22)3-6-14(9)26(23,24)20-12-4-5-13(17-8-12)15-18-10(2)19-25-15/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPWIPPACVMYWTLK-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid

3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid (PubChem CID 167803642) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid
PubChem CID167803642
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid
SMILESCc1noc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3C)cn2)n1
InChIInChI=1S/C16H14N4O5S/c1-9-7-11(16(21)22)3-6-14(9)26(23,24)20-12-4-5-13(17-8-12)15-18-10(2)19-25-15/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPWIPPACVMYWTLK-UHFFFAOYSA-N
XLogP2.25
TPSA135.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
3-methyl-4-[[3-[(S)-methylsulfinyl]phenyl]sulfamoyl]benzoic acid
CID 96540238
3-bromo-4-[(3,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78850990
3-[(6-bromo-3-pyridinyl)sulfamoyl]-4-fluorobenzoic acid
CID 103777888
4-[(4-fluorophenyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997583
3-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61013879
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040
2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
CID 166435638
4-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid (CID 167803642) is 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid is Cc1noc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)O)cc3C)cn2)n1.
What is the InChIKey of 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid?
The InChIKey is PWIPPACVMYWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c1-9-7-11(16(21)22)3-6-14(9)26(23,24)20-12-4-5-13(17-8-12)15-18-10(2)19-25-15/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid?
3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid has a molecular weight of 374.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 167803642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).