9-(benzenesulfonyl)carbazole-4-carbaldehyde

C19H13NO3S — CID 14594814

IUPAC9-(benzenesulfonyl)carbazole-4-carbaldehyde
SMILESO=Cc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H13NO3S/c21-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)20(18)24(22,23)15-8-2-1-3-9-15/h1-13H
InChIKeyPPXZRRDZDJAJQQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.84
Rot. Bonds3

About 9-(benzenesulfonyl)carbazole-4-carbaldehyde

9-(benzenesulfonyl)carbazole-4-carbaldehyde (PubChem CID 14594814) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 9-(benzenesulfonyl)carbazole-4-carbaldehyde.

Molecular Properties

Compound Name9-(benzenesulfonyl)carbazole-4-carbaldehyde
PubChem CID14594814
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name9-(benzenesulfonyl)carbazole-4-carbaldehyde
SMILESO=Cc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H13NO3S/c21-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)20(18)24(22,23)15-8-2-1-3-9-15/h1-13H
InChIKeyPPXZRRDZDJAJQQ-UHFFFAOYSA-N
XLogP3.84
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.84
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

9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
[9-(benzenesulfonyl)carbazol-4-yl] acetate
CID 11257063
1-(benzenesulfonyl)indazole-4-carbaldehyde
CID 59177951
1-(benzenesulfonyl)-2-(2-phenylethynyl)indole-3-carbaldehyde
CID 10500301
CID 88904816
CID 88904816
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylindole;hydrochloride
CID 91448465
9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine
CID 70676091
1-(benzenesulfonyl)-4-iodoindole-3-carbaldehyde
CID 170556036
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)carbazole-4-carbaldehyde?
The IUPAC name of 9-(benzenesulfonyl)carbazole-4-carbaldehyde (CID 14594814) is 9-(benzenesulfonyl)carbazole-4-carbaldehyde.
What is the SMILES notation for 9-(benzenesulfonyl)carbazole-4-carbaldehyde?
The canonical SMILES for 9-(benzenesulfonyl)carbazole-4-carbaldehyde is O=Cc1cccc2c1c1ccccc1n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 9-(benzenesulfonyl)carbazole-4-carbaldehyde?
The InChIKey is PPXZRRDZDJAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-13-14-7-6-12-18-19(14)16-10-4-5-11-17(16)20(18)24(22,23)15-8-2-1-3-9-15/h1-13H.
What are the key properties of 9-(benzenesulfonyl)carbazole-4-carbaldehyde?
9-(benzenesulfonyl)carbazole-4-carbaldehyde has a molecular weight of 335.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)carbazole-4-carbaldehyde is sourced from PubChem (CID 14594814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).