2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid

C16H15NO4S — CID 66675508

IUPAC2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
SMILESC=C(Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO4S/c1-12(16(18)19)11-13-7-9-15(10-8-13)22(20,21)17-14-5-3-2-4-6-14/h2-10,17H,1,11H2,(H,18,19)
InChIKeyAOFUYGZTDBAXGJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.67
Rot. Bonds6

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

2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid (PubChem CID 66675508) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
PubChem CID66675508
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid
SMILESC=C(Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO4S/c1-12(16(18)19)11-13-7-9-15(10-8-13)22(20,21)17-14-5-3-2-4-6-14/h2-10,17H,1,11H2,(H,18,19)
InChIKeyAOFUYGZTDBAXGJ-UHFFFAOYSA-N
XLogP2.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic 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

2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
sodium;2-benzylprop-2-enoic acid;hydride
CID 174441336
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 1296910
4-(phenylsulfamoyl)benzoate
CID 6997297
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid (CID 66675508) is 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid is C=C(Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid?
The InChIKey is AOFUYGZTDBAXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-12(16(18)19)11-13-7-9-15(10-8-13)22(20,21)17-14-5-3-2-4-6-14/h2-10,17H,1,11H2,(H,18,19).
What are the key properties of 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid?
2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid has a molecular weight of 317.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenylsulfamoyl)phenyl]methyl]prop-2-enoic acid is sourced from PubChem (CID 66675508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).