6-(benzenesulfonyl)furo[2,3-e]indol-3-one

C16H11NO4S — CID 142413177

IUPAC6-(benzenesulfonyl)furo[2,3-e]indol-3-one
SMILESO=C1COc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H11NO4S/c18-15-10-21-16-12-8-9-17(14(12)7-6-13(15)16)22(19,20)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyDXAYALAYXJRAPA-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.45
Rot. Bonds2

About 6-(benzenesulfonyl)furo[2,3-e]indol-3-one

6-(benzenesulfonyl)furo[2,3-e]indol-3-one (PubChem CID 142413177) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-(benzenesulfonyl)furo[2,3-e]indol-3-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)furo[2,3-e]indol-3-one
PubChem CID142413177
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Name6-(benzenesulfonyl)furo[2,3-e]indol-3-one
SMILESO=C1COc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H11NO4S/c18-15-10-21-16-12-8-9-17(14(12)7-6-13(15)16)22(19,20)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyDXAYALAYXJRAPA-UHFFFAOYSA-N
XLogP2.45
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)furo[2,3-e]indol-3-one?
The IUPAC name of 6-(benzenesulfonyl)furo[2,3-e]indol-3-one (CID 142413177) is 6-(benzenesulfonyl)furo[2,3-e]indol-3-one.
What is the SMILES notation for 6-(benzenesulfonyl)furo[2,3-e]indol-3-one?
The canonical SMILES for 6-(benzenesulfonyl)furo[2,3-e]indol-3-one is O=C1COc2c1ccc1c2ccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)furo[2,3-e]indol-3-one?
The InChIKey is DXAYALAYXJRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c18-15-10-21-16-12-8-9-17(14(12)7-6-13(15)16)22(19,20)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 6-(benzenesulfonyl)furo[2,3-e]indol-3-one?
6-(benzenesulfonyl)furo[2,3-e]indol-3-one has a molecular weight of 313.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)furo[2,3-e]indol-3-one is sourced from PubChem (CID 142413177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).