5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one

C15H14N2O4S — CID 23460847

IUPAC5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c(S(=O)(=O)N4CCOCC4)ccc1c23
InChIInChI=1S/C15H14N2O4S/c18-15-11-4-5-13(10-2-1-3-12(16-15)14(10)11)22(19,20)17-6-8-21-9-7-17/h1-5H,6-9H2,(H,16,18)
InChIKeyRVYXHVSIDYUFAE-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.43
Rot. Bonds2

About 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one

5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one (PubChem CID 23460847) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one
PubChem CID23460847
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c(S(=O)(=O)N4CCOCC4)ccc1c23
InChIInChI=1S/C15H14N2O4S/c18-15-11-4-5-13(10-2-1-3-12(16-15)14(10)11)22(19,20)17-6-8-21-9-7-17/h1-5H,6-9H2,(H,16,18)
InChIKeyRVYXHVSIDYUFAE-UHFFFAOYSA-N
XLogP1.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one?
The IUPAC name of 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one (CID 23460847) is 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one is O=C1Nc2cccc3c(S(=O)(=O)N4CCOCC4)ccc1c23.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one?
The InChIKey is RVYXHVSIDYUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-15-11-4-5-13(10-2-1-3-12(16-15)14(10)11)22(19,20)17-6-8-21-9-7-17/h1-5H,6-9H2,(H,16,18).
What are the key properties of 5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one?
5-morpholin-4-ylsulfonyl-1H-benzo[cd]indol-2-one has a molecular weight of 318.35 g/mol, XLogP of 1.43, 2 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-benzo[cd]indol-2-one is sourced from PubChem (CID 23460847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).