5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde

C13H14N2O4S — CID 4102629

IUPAC5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C13H14N2O4S/c16-9-10-8-14-13-2-1-11(7-12(10)13)20(17,18)15-3-5-19-6-4-15/h1-2,7-9,14H,3-6H2
InChIKeySFWDZMXLECIUMV-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.00
Rot. Bonds3

About 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde

5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde (PubChem CID 4102629) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
PubChem CID4102629
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C13H14N2O4S/c16-9-10-8-14-13-2-1-11(7-12(10)13)20(17,18)15-3-5-19-6-4-15/h1-2,7-9,14H,3-6H2
InChIKeySFWDZMXLECIUMV-UHFFFAOYSA-N
XLogP1.00
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde (CID 4102629) is 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
The InChIKey is SFWDZMXLECIUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-9-10-8-14-13-2-1-11(7-12(10)13)20(17,18)15-3-5-19-6-4-15/h1-2,7-9,14H,3-6H2.
What are the key properties of 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde?
5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde has a molecular weight of 294.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4102629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).