2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid

C13H19NO5S — CID 82949234

IUPAC2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-10(2)14(8-9-19-3)20(17,18)12-7-5-4-6-11(12)13(15)16/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyBQYYKWAQUGOQQR-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.43
Rot. Bonds7

About 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid

2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid (PubChem CID 82949234) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
PubChem CID82949234
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H19NO5S/c1-10(2)14(8-9-19-3)20(17,18)12-7-5-4-6-11(12)13(15)16/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyBQYYKWAQUGOQQR-UHFFFAOYSA-N
XLogP1.43
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
2-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzoic acid
CID 81059803
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82937866
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
2-bromo-5-(hydroxymethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82953173
2-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 82965434

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid (CID 82949234) is 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid is COCCN(C(C)C)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is BQYYKWAQUGOQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(2)14(8-9-19-3)20(17,18)12-7-5-4-6-11(12)13(15)16/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 82949234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).