4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid

C14H19NO5S — CID 103338521

IUPAC4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
SMILESC=CCN(CCOC)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-3-8-15(9-10-20-2)21(18,19)11-12-4-6-13(7-5-12)14(16)17/h3-7H,1,8-11H2,2H3,(H,16,17)
InChIKeyLWEUCACZLSOLQS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.35
Rot. Bonds9

About 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid

4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid (PubChem CID 103338521) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
PubChem CID103338521
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
SMILESC=CCN(CCOC)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO5S/c1-3-8-15(9-10-20-2)21(18,19)11-12-4-6-13(7-5-12)14(16)17/h3-7H,1,8-11H2,2H3,(H,16,17)
InChIKeyLWEUCACZLSOLQS-UHFFFAOYSA-N
XLogP1.35
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
3-[2-methoxyethyl(prop-2-enyl)sulfamoyl]-2-methylbenzoic acid
CID 103338546
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
methyl 3-[[2-hydroxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoate
CID 115754620
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
4-[2-methoxyethyl(prop-2-enyl)amino]-3-(trifluoromethyl)benzoic acid
CID 103339526

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid?
The IUPAC name of 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid (CID 103338521) is 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid is C=CCN(CCOC)S(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid?
The InChIKey is LWEUCACZLSOLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-3-8-15(9-10-20-2)21(18,19)11-12-4-6-13(7-5-12)14(16)17/h3-7H,1,8-11H2,2H3,(H,16,17).
What are the key properties of 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid?
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid is sourced from PubChem (CID 103338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).