2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid

C14H17NO4S — CID 43440466

IUPAC2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)13-7-5-12(6-8-13)11-14(16)17/h3-8H,1-2,9-11H2,(H,16,17)
InChIKeyMRLPOUKIJIJYAH-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.68
Rot. Bonds8

About 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid

2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43440466) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
PubChem CID43440466
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)13-7-5-12(6-8-13)11-14(16)17/h3-8H,1-2,9-11H2,(H,16,17)
InChIKeyMRLPOUKIJIJYAH-UHFFFAOYSA-N
XLogP1.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
2-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79261866
3-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]propanoic acid
CID 82326536
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936993
2-(4-but-3-en-2-ylsulfonylphenyl)acetic acid
CID 55067623
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
2-(4-sulfophenyl)acetic acid
CID 5205069
4-[(E)-prop-1-enyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 167259008
N,N-bis(prop-2-enyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 3370801
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid (CID 43440466) is 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid is C=CCN(CC=C)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is MRLPOUKIJIJYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-3-9-15(10-4-2)20(18,19)13-7-5-12(6-8-13)11-14(16)17/h3-8H,1-2,9-11H2,(H,16,17).
What are the key properties of 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid?
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 295.36 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43440466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).