1-(benzenesulfonyl)indazole-4-carbaldehyde

C14H10N2O3S — CID 59177951

IUPAC1-(benzenesulfonyl)indazole-4-carbaldehyde
SMILESO=Cc1cccc2c1cnn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-10-11-5-4-8-14-13(11)9-15-16(14)20(18,19)12-6-2-1-3-7-12/h1-10H
InChIKeyMYEBAPUSBNMNPH-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(benzenesulfonyl)indazole-4-carbaldehyde

1-(benzenesulfonyl)indazole-4-carbaldehyde (PubChem CID 59177951) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)indazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)indazole-4-carbaldehyde
PubChem CID59177951
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name1-(benzenesulfonyl)indazole-4-carbaldehyde
SMILESO=Cc1cccc2c1cnn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-10-11-5-4-8-14-13(11)9-15-16(14)20(18,19)12-6-2-1-3-7-12/h1-10H
InChIKeyMYEBAPUSBNMNPH-UHFFFAOYSA-N
XLogP2.09
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)indazol-4-amine
CID 88992667
9-(benzenesulfonyl)carbazole-4-carbaldehyde
CID 14594814
1-(benzenesulfonyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]indazole
CID 90999914
1-(benzenesulfonyl)-5-iodoindazole
CID 139270118
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
1-(benzenesulfonyl)-4-iodoindole-3-carbaldehyde
CID 170556036
N-[1-(benzenesulfonyl)indazol-6-yl]acetamide
CID 156879676
tert-butyl 3-[1-(benzenesulfonyl)indazol-4-yl]oxypyrrolidine-1-carboxylate
CID 22643433
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
CID 133058893
3-(benzenesulfonyl)-2-fluorobenzaldehyde
CID 87604075
3-[1-(benzenesulfonyl)indazol-5-yl]azetidine-1-carboxylic acid
CID 141221133
1-(benzenesulfonyl)-5,6-dihydroxyindole-3-carbaldehyde
CID 88908779

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)indazole-4-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)indazole-4-carbaldehyde (CID 59177951) is 1-(benzenesulfonyl)indazole-4-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)indazole-4-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)indazole-4-carbaldehyde is O=Cc1cccc2c1cnn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)indazole-4-carbaldehyde?
The InChIKey is MYEBAPUSBNMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-10-11-5-4-8-14-13(11)9-15-16(14)20(18,19)12-6-2-1-3-7-12/h1-10H.
What are the key properties of 1-(benzenesulfonyl)indazole-4-carbaldehyde?
1-(benzenesulfonyl)indazole-4-carbaldehyde has a molecular weight of 286.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)indazole-4-carbaldehyde is sourced from PubChem (CID 59177951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).