5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid

C13H19NO6S — CID 43578680

IUPAC5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H19NO6S/c1-9(2)14(6-7-15)21(18,19)10-4-5-12(20-3)11(8-10)13(16)17/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyAMLTXGJLIDFPEL-UHFFFAOYSA-N
MW317.36 g/mol
LogP0.78
Rot. Bonds7

About 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid

5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 43578680) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID43578680
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O
InChIInChI=1S/C13H19NO6S/c1-9(2)14(6-7-15)21(18,19)10-4-5-12(20-3)11(8-10)13(16)17/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyAMLTXGJLIDFPEL-UHFFFAOYSA-N
XLogP0.78
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43574658
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
5-[3-(dimethylamino)propylsulfonyl]-2-methoxybenzoic acid
CID 114525746
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
CID 97032269
5-(2-ethylbutylsulfonyl)-2-methoxybenzoic acid
CID 82928650

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid (CID 43578680) is 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)N(CCO)C(C)C)cc1C(=O)O.
What is the InChIKey of 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is AMLTXGJLIDFPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-9(2)14(6-7-15)21(18,19)10-4-5-12(20-3)11(8-10)13(16)17/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid?
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 317.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 43578680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).