2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid

C15H13NO4S — CID 134249060

IUPAC2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c1-11(15(17)18)12-6-5-9-14(10-12)21(19,20)16-13-7-3-2-4-8-13/h2-10,16H,1H2,(H,17,18)
InChIKeyPFYPRPORVIXBJU-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.59
Rot. Bonds5

About 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid

2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid (PubChem CID 134249060) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
PubChem CID134249060
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c1-11(15(17)18)12-6-5-9-14(10-12)21(19,20)16-13-7-3-2-4-8-13/h2-10,16H,1H2,(H,17,18)
InChIKeyPFYPRPORVIXBJU-UHFFFAOYSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N,3-diphenylbenzenesulfonamide
CID 54513984
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
CID 163355301
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386

Frequently Asked Questions

What is the IUPAC name of 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid?
The IUPAC name of 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid (CID 134249060) is 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid is C=C(C(=O)O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid?
The InChIKey is PFYPRPORVIXBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-11(15(17)18)12-6-5-9-14(10-12)21(19,20)16-13-7-3-2-4-8-13/h2-10,16H,1H2,(H,17,18).
What are the key properties of 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid?
2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 134249060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).