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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Related Compounds

4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226399
N-(4-chlorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 1019053
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4877414
E-6-Chloro-3-[[4-(methylsulfonyl)phenyl]methylene]-indolin-2-one
CID 52946328
E-5-Fluoro-3-[[4-(sulfamoyl)phenyl]methylene]-indolin-2-one
CID 52947455
4-{[1-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-ethyl]amino}benzenesulfonamide
CID 91895631
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
N-(4-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4650747
4-[(5-Chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzenesulfonamide
CID 127030963
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137175059
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137175099

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).