(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate

C13H10NO5S- — CID 7128748

IUPAC(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1
InChIInChI=1S/C13H11NO5S/c14-20(17,18)11-5-1-9(2-6-11)12-7-3-10(19-12)4-8-13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1/b8-4+
InChIKeyNJCUFFUYNUDDFT-XBXARRHUSA-M
MW292.29 g/mol
LogP0.36
Rot. Bonds4

About (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate

(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate (PubChem CID 7128748) has the molecular formula C13H10NO5S- and a molecular weight of 292.29 g/mol. Its IUPAC name is (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
PubChem CID7128748
Molecular FormulaC13H10NO5S-
Molecular Weight292.29 g/mol
Exact Mass292.03
IUPAC Name(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1
InChIInChI=1S/C13H11NO5S/c14-20(17,18)11-5-1-9(2-6-11)12-7-3-10(19-12)4-8-13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1/b8-4+
InChIKeyNJCUFFUYNUDDFT-XBXARRHUSA-M
XLogP0.36
TPSA113.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
CID 3444453
2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
CID 3137858
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
CID 9217266
4-[5-(2-carboxyethenyl)furan-2-yl]benzoic acid
CID 171146640
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
4-[3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4874909
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoate
CID 7164671
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28665530

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate (CID 7128748) is (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate is NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1.
What is the InChIKey of (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate?
The InChIKey is NJCUFFUYNUDDFT-XBXARRHUSA-M. The full InChI is InChI=1S/C13H11NO5S/c14-20(17,18)11-5-1-9(2-6-11)12-7-3-10(19-12)4-8-13(15)16/h1-8H,(H,15,16)(H2,14,17,18)/p-1/b8-4+.
What are the key properties of (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate?
(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate has a molecular weight of 292.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 7128748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).