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

C13H20N2O5S — CID 102931550

IUPAC4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-9(2)15(6-7-20-3)21(18,19)12-8-10(14)4-5-11(12)13(16)17/h4-5,8-9H,6-7,14H2,1-3H3,(H,16,17)
InChIKeyREFIAMPWUKVCQW-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid

4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid (PubChem CID 102931550) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
PubChem CID102931550
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-9(2)15(6-7-20-3)21(18,19)12-8-10(14)4-5-11(12)13(16)17/h4-5,8-9H,6-7,14H2,1-3H3,(H,16,17)
InChIKeyREFIAMPWUKVCQW-UHFFFAOYSA-N
XLogP1.01
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
4-amino-2-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102931062
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid (CID 102931550) is 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid is COCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is REFIAMPWUKVCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9(2)15(6-7-20-3)21(18,19)12-8-10(14)4-5-11(12)13(16)17/h4-5,8-9H,6-7,14H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid?
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 316.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 102931550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).