2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid

C10H11NO5S — CID 167862946

IUPAC2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C10H11NO5S/c1-7(10(12)13)6-16-8-2-4-9(5-3-8)17(11,14)15/h2-5H,1,6H2,(H,12,13)(H2,11,14,15)
InChIKeyLRFDVZTYEBZRKS-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.35
Rot. Bonds5

About 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid

2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid (PubChem CID 167862946) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
PubChem CID167862946
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid
SMILESC=C(COc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C10H11NO5S/c1-7(10(12)13)6-16-8-2-4-9(5-3-8)17(11,14)15/h2-5H,1,6H2,(H,12,13)(H2,11,14,15)
InChIKeyLRFDVZTYEBZRKS-UHFFFAOYSA-N
XLogP0.35
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-phenylphenoxy)methyl]prop-2-enoic acid
CID 13368547
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 80979145
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
2-[4-[4-(carboxymethoxy)phenyl]sulfonyloxyphenoxy]acetic acid
CID 139738775
CID 131845691
CID 131845691
2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 167809217

Frequently Asked Questions

What is the IUPAC name of 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid (CID 167862946) is 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid is C=C(COc1ccc(S(N)(=O)=O)cc1)C(=O)O.
What is the InChIKey of 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid?
The InChIKey is LRFDVZTYEBZRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-7(10(12)13)6-16-8-2-4-9(5-3-8)17(11,14)15/h2-5H,1,6H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid?
2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid has a molecular weight of 257.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-sulfamoylphenoxy)methyl]prop-2-enoic acid is sourced from PubChem (CID 167862946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).