4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

C15H11ClN2O3S — CID 52944063

IUPAC4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+
InChIKeyMFKVVDPEUVEDLW-NTUHNPAUSA-N
MW334.78 g/mol
LogP2.48
Rot. Bonds2

About 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (PubChem CID 52944063) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
PubChem CID52944063
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+
InChIKeyMFKVVDPEUVEDLW-NTUHNPAUSA-N
XLogP2.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (CID 52944063) is 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The InChIKey is MFKVVDPEUVEDLW-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-3-6-14-12(8-10)13(15(19)18-14)7-9-1-4-11(5-2-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7+.
What are the key properties of 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide has a molecular weight of 334.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 52944063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).