3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

C15H11ClN2O3S — CID 71245897

IUPAC3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H11ClN2O3S/c16-10-4-5-12-13(15(19)18-14(12)8-10)7-9-2-1-3-11(6-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7-
InChIKeyAXRQOVLYTOBIBV-QPEQYQDCSA-N
MW334.78 g/mol
LogP2.48
Rot. Bonds2

About 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide

3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (PubChem CID 71245897) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
PubChem CID71245897
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H11ClN2O3S/c16-10-4-5-12-13(15(19)18-14(12)8-10)7-9-2-1-3-11(6-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7-
InChIKeyAXRQOVLYTOBIBV-QPEQYQDCSA-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 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The IUPAC name of 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide (CID 71245897) is 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1.
What is the InChIKey of 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
The InChIKey is AXRQOVLYTOBIBV-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-4-5-12-13(15(19)18-14(12)8-10)7-9-2-1-3-11(6-9)22(17,20)21/h1-8H,(H,18,19)(H2,17,20,21)/b13-7-.
What are the key properties of 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide?
3-[(Z)-(6-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 3-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzenesulfonamide is sourced from PubChem (CID 71245897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).