4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid

C15H16N2O5S — CID 56796410

IUPAC4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C15H16N2O5S/c1-3-10-4-5-11(15(19)20)8-13(10)23(21,22)16-12-6-7-14(18)17(2)9-12/h4-9,16H,3H2,1-2H3,(H,19,20)
InChIKeyLSSCBBDBHICENQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.45
Rot. Bonds5

About 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid

4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 56796410) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID56796410
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C15H16N2O5S/c1-3-10-4-5-11(15(19)20)8-13(10)23(21,22)16-12-6-7-14(18)17(2)9-12/h4-9,16H,3H2,1-2H3,(H,19,20)
InChIKeyLSSCBBDBHICENQ-UHFFFAOYSA-N
XLogP1.45
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56813250
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CID 114911938
3-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]-4-ethylbenzoic acid
CID 60531945
4-ethyl-3-methylsulfonylbenzoic acid
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4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
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2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
3-(2,2-dimethoxyethylsulfamoyl)-4-ethylbenzoic acid
CID 79538518
4-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63226617
4-ethyl-3-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780469
4-ethyl-3-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 82712684
4-ethylbenzene-1,3-dicarboxylic acid;methanesulfonic acid
CID 174381547

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid (CID 56796410) is 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid is CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is LSSCBBDBHICENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-3-10-4-5-11(15(19)20)8-13(10)23(21,22)16-12-6-7-14(18)17(2)9-12/h4-9,16H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid?
4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 336.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 56796410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).