1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde

C21H14ClNO3S — CID 169099271

IUPAC1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccccc2-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H14ClNO3S/c22-19-10-4-1-8-17(19)18-9-3-6-12-21(18)27(25,26)23-13-15(14-24)16-7-2-5-11-20(16)23/h1-14H
InChIKeyNJOMVDGBGQDSDU-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.01
Rot. Bonds4

About 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde

1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde (PubChem CID 169099271) has the molecular formula C21H14ClNO3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde
PubChem CID169099271
Molecular FormulaC21H14ClNO3S
Molecular Weight395.87 g/mol
Exact Mass395.04
IUPAC Name1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccccc2-c2ccccc2Cl)c2ccccc12
InChIInChI=1S/C21H14ClNO3S/c22-19-10-4-1-8-17(19)18-9-3-6-12-21(18)27(25,26)23-13-15(14-24)16-7-2-5-11-20(16)23/h1-14H
InChIKeyNJOMVDGBGQDSDU-UHFFFAOYSA-N
XLogP5.01
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87179756
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
5-bromo-1-(2-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87180207
1-chloroindole-3-carbaldehyde
CID 141112526
2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
CID 87704061
2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
1-[tert-butyl(dimethyl)silyl]indole-3-carbaldehyde
CID 10083922
(2Z)-2-[[1-(2-chlorophenyl)sulfonylindol-3-yl]methylidene]-6-hydroxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one;dihydrochloride
CID 86681975
1-(benzenesulfonyl)-5,6-dihydroxyindole-3-carbaldehyde
CID 88908779
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde?
The IUPAC name of 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde (CID 169099271) is 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde.
What is the SMILES notation for 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde?
The canonical SMILES for 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde is O=Cc1cn(S(=O)(=O)c2ccccc2-c2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde?
The InChIKey is NJOMVDGBGQDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3S/c22-19-10-4-1-8-17(19)18-9-3-6-12-21(18)27(25,26)23-13-15(14-24)16-7-2-5-11-20(16)23/h1-14H.
What are the key properties of 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde?
1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde has a molecular weight of 395.87 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)phenyl]sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 169099271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).