4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide

C17H16N2O4S — CID 9356188

IUPAC4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N2O4S/c1-12(14-4-7-16-17(10-14)23-9-8-22-16)19-24(20,21)15-5-2-13(11-18)3-6-15/h2-7,10,12,19H,8-9H2,1H3/t12-/m1/s1
InChIKeyBDXZQPYMNUGYAU-GFCCVEGCSA-N
MW344.39 g/mol
LogP2.37
Rot. Bonds4

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

4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (PubChem CID 9356188) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
PubChem CID9356188
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N2O4S/c1-12(14-4-7-16-17(10-14)23-9-8-22-16)19-24(20,21)15-5-2-13(11-18)3-6-15/h2-7,10,12,19H,8-9H2,1H3/t12-/m1/s1
InChIKeyBDXZQPYMNUGYAU-GFCCVEGCSA-N
XLogP2.37
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 26540985
4-cyano-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 51177603
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxochromene-6-sulfonamide
CID 55544736
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
methyl 3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]sulfamoyl]benzoate
CID 94612899
methyl 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]benzoate
CID 51335512
2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (CID 9356188) is 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is BDXZQPYMNUGYAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12(14-4-7-16-17(10-14)23-9-8-22-16)19-24(20,21)15-5-2-13(11-18)3-6-15/h2-7,10,12,19H,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9356188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).