3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid

C14H13NO5S — CID 67019525

IUPAC3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C14H13NO5S/c16-14(17)7-6-11-3-1-5-13(9-11)21(18,19)15-10-12-4-2-8-20-12/h1-9,15H,10H2,(H,16,17)
InChIKeyJISGOTPRLXRGHE-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.86
Rot. Bonds6

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

3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid (PubChem CID 67019525) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
PubChem CID67019525
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C14H13NO5S/c16-14(17)7-6-11-3-1-5-13(9-11)21(18,19)15-10-12-4-2-8-20-12/h1-9,15H,10H2,(H,16,17)
InChIKeyJISGOTPRLXRGHE-UHFFFAOYSA-N
XLogP1.86
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.86
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

3-[3-(benzylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019640
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
3-[3-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907979
(E)-3-[3-(2-phenylethylsulfamoyl)phenyl]prop-2-enoic acid
CID 22492494
3-[3-(2-acetamidoethylsulfamoyl)phenyl]prop-2-enoic acid
CID 76907873
3-[3-[[3-(methylamino)-3-oxopropyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 76927143
4-[(E)-3-(2,2-dimethylhydrazinyl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9163944
(E)-N-(3-fluorophenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9412526
N-benzyl-3-[(E)-4-hydroxy-3-oxobut-1-enyl]benzenesulfonamide
CID 159114117
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 42992514
3-[3-[2-[ethyl(methyl)amino]ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 76947502
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid (CID 67019525) is 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid is O=C(O)C=Cc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid?
The InChIKey is JISGOTPRLXRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c16-14(17)7-6-11-3-1-5-13(9-11)21(18,19)15-10-12-4-2-8-20-12/h1-9,15H,10H2,(H,16,17).
What are the key properties of 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid?
3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 67019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).