N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide

C19H15FN2O4S — CID 58926088

IUPACN-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=C/C(=C3\C(=O)Nc4cc(F)ccc43)OC2)cc1
InChIInChI=1S/C19H15FN2O4S/c1-27(24,25)22-14-5-2-11(3-6-14)12-8-17(26-10-12)18-15-7-4-13(20)9-16(15)21-19(18)23/h2-9,22H,10H2,1H3,(H,21,23)/b18-17+
InChIKeyQLWVEOYHRRIVDX-ISLYRVAYSA-N
MW386.40 g/mol
LogP2.97
Rot. Bonds3

About N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide

N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide (PubChem CID 58926088) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide
PubChem CID58926088
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC NameN-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=C/C(=C3\C(=O)Nc4cc(F)ccc43)OC2)cc1
InChIInChI=1S/C19H15FN2O4S/c1-27(24,25)22-14-5-2-11(3-6-14)12-8-17(26-10-12)18-15-7-4-13(20)9-16(15)21-19(18)23/h2-9,22H,10H2,1H3,(H,21,23)/b18-17+
InChIKeyQLWVEOYHRRIVDX-ISLYRVAYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.97
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-(1,3-benzodioxol-5-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 69449557
(3E)-3-[3-(1,3-benzodioxol-5-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 58926387
CID 147616014
CID 147616014
(3E)-3-(3-bromo-2H-furan-5-ylidene)-6-fluoro-1H-indol-2-one
CID 58926075
N-[3-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]methanesulfonamide
CID 58926002
(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
CID 58926121
6-fluoro-3-[3-[2-methoxyethyl(methyl)amino]-2H-furan-5-ylidene]-1H-indol-2-one
CID 69420324
CID 149362037
CID 149362037
4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde
CID 58926440
(3E)-6-fluoro-3-[5-(2-hydroxyethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 10245816
3-[4-[6-[2-[4-(2-aminoethyl)piperazin-1-yl]ethylamino]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-6-fluoro-1H-indol-2-one
CID 69450107
2-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]acetic acid
CID 58926197

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide (CID 58926088) is N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=C/C(=C3\C(=O)Nc4cc(F)ccc43)OC2)cc1.
What is the InChIKey of N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide?
The InChIKey is QLWVEOYHRRIVDX-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-27(24,25)22-14-5-2-11(3-6-14)12-8-17(26-10-12)18-15-7-4-13(20)9-16(15)21-19(18)23/h2-9,22H,10H2,1H3,(H,21,23)/b18-17+.
What are the key properties of N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide?
N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide has a molecular weight of 386.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2H-furan-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 58926088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).