2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid

C14H15N3O5S — CID 154746500

IUPAC2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(C)nc2)cc1C(=O)O
InChIInChI=1S/C14H15N3O5S/c1-3-22-13-5-4-11(6-12(13)14(18)19)23(20,21)17-10-7-15-9(2)16-8-10/h4-8,17H,3H2,1-2H3,(H,18,19)
InChIKeyRRAWRCUYVPYGQD-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.68
Rot. Bonds6

About 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid

2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid (PubChem CID 154746500) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
PubChem CID154746500
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(C)nc2)cc1C(=O)O
InChIInChI=1S/C14H15N3O5S/c1-3-22-13-5-4-11(6-12(13)14(18)19)23(20,21)17-10-7-15-9(2)16-8-10/h4-8,17H,3H2,1-2H3,(H,18,19)
InChIKeyRRAWRCUYVPYGQD-UHFFFAOYSA-N
XLogP1.68
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-ethoxybenzoic acid
CID 65314855
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 104654511
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
3-[(3-tert-butyl-4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 39845160

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid (CID 154746500) is 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid is CCOc1ccc(S(=O)(=O)Nc2cnc(C)nc2)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid?
The InChIKey is RRAWRCUYVPYGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-3-22-13-5-4-11(6-12(13)14(18)19)23(20,21)17-10-7-15-9(2)16-8-10/h4-8,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid?
2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid has a molecular weight of 337.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(2-methylpyrimidin-5-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 154746500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).