2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

C15H12N2O4S — CID 698008

IUPAC2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H12N2O4S/c16-10-11-3-1-2-4-15(11)22(18,19)17-12-5-6-13-14(9-12)21-8-7-20-13/h1-6,9,17H,7-8H2
InChIKeyCPCBERZKTKCYGR-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.13
Rot. Bonds3

About 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide

2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 698008) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID698008
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H12N2O4S/c16-10-11-3-1-2-4-15(11)22(18,19)17-12-5-6-13-14(9-12)21-8-7-20-13/h1-6,9,17H,7-8H2
InChIKeyCPCBERZKTKCYGR-UHFFFAOYSA-N
XLogP2.13
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 698008) is 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is CPCBERZKTKCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c16-10-11-3-1-2-4-15(11)22(18,19)17-12-5-6-13-14(9-12)21-8-7-20-13/h1-6,9,17H,7-8H2.
What are the key properties of 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 698008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).