2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid

C12H17NO6S — CID 61040560

IUPAC2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOCCN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C12H17NO6S/c1-8-6-10(14)9(12(15)16)7-11(8)20(17,18)13(2)4-5-19-3/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyVXPAXZSFERBTJI-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.67
Rot. Bonds6

About 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid

2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid (PubChem CID 61040560) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
PubChem CID61040560
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOCCN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C12H17NO6S/c1-8-6-10(14)9(12(15)16)7-11(8)20(17,18)13(2)4-5-19-3/h6-7,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyVXPAXZSFERBTJI-UHFFFAOYSA-N
XLogP0.67
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 60951459
2,4-dimethyl-5-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985507
2-hydroxy-4-methyl-5-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzoic acid
CID 115985591
2,4-dimethyl-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60950087
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 63223536
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
3-fluoro-5-[3-methoxypropyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 63008006
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid?
The IUPAC name of 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid (CID 61040560) is 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid is COCCN(C)S(=O)(=O)c1cc(C(=O)O)c(O)cc1C.
What is the InChIKey of 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid?
The InChIKey is VXPAXZSFERBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8-6-10(14)9(12(15)16)7-11(8)20(17,18)13(2)4-5-19-3/h6-7,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid?
2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 61040560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).