2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

C15H10N2O4S — CID 2811664

IUPAC2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C15H10N2O4S/c16-8-10-3-1-2-4-14(10)22(19,20)17-12-6-5-11-9-21-15(18)13(11)7-12/h1-7,17H,9H2
InChIKeyQJANMRDJLQDLIP-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.03
Rot. Bonds3

About 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide

2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (PubChem CID 2811664) has the molecular formula C15H10N2O4S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
PubChem CID2811664
Molecular FormulaC15H10N2O4S
Molecular Weight314.32 g/mol
Exact Mass314.04
IUPAC Name2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C15H10N2O4S/c16-8-10-3-1-2-4-14(10)22(19,20)17-12-6-5-11-9-21-15(18)13(11)7-12/h1-7,17H,9H2
InChIKeyQJANMRDJLQDLIP-UHFFFAOYSA-N
XLogP2.03
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide (CID 2811664) is 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
The InChIKey is QJANMRDJLQDLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S/c16-8-10-3-1-2-4-14(10)22(19,20)17-12-6-5-11-9-21-15(18)13(11)7-12/h1-7,17H,9H2.
What are the key properties of 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide?
2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide has a molecular weight of 314.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 2811664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).