2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid

C17H20N2O5S — CID 136547951

IUPAC2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cccc(C)n2)cc1C(=O)O
InChIInChI=1S/C17H20N2O5S/c1-4-24-16-9-8-14(10-15(16)17(20)21)25(22,23)19(3)11-13-7-5-6-12(2)18-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyIUZMEPLLDUBVSL-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.31
Rot. Bonds7

About 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid

2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid (PubChem CID 136547951) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
PubChem CID136547951
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2cccc(C)n2)cc1C(=O)O
InChIInChI=1S/C17H20N2O5S/c1-4-24-16-9-8-14(10-15(16)17(20)21)25(22,23)19(3)11-13-7-5-6-12(2)18-13/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyIUZMEPLLDUBVSL-UHFFFAOYSA-N
XLogP2.31
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
CID 43374050
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
2-bromo-5-[(6-methyl-2-pyridinyl)methylsulfonyl]benzoic acid
CID 79263175
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
CID 154746500
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
2-ethoxy-5-[(4-phenylphenyl)-(trifluoromethoxy)sulfamoyl]benzoic acid
CID 91396291
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid (CID 136547951) is 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid is CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(C)n2)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid?
The InChIKey is IUZMEPLLDUBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-4-24-16-9-8-14(10-15(16)17(20)21)25(22,23)19(3)11-13-7-5-6-12(2)18-13/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid?
2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid has a molecular weight of 364.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 136547951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).