3-cyano-N-(oxolan-3-yl)benzenesulfonamide

C11H12N2O3S — CID 80714272

IUPAC3-cyano-N-(oxolan-3-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C11H12N2O3S/c12-7-9-2-1-3-11(6-9)17(14,15)13-10-4-5-16-8-10/h1-3,6,10,13H,4-5,8H2
InChIKeyFRRDJVHLXOTLBI-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.63
Rot. Bonds3

About 3-cyano-N-(oxolan-3-yl)benzenesulfonamide

3-cyano-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 80714272) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-cyano-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID80714272
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-cyano-N-(oxolan-3-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C11H12N2O3S/c12-7-9-2-1-3-11(6-9)17(14,15)13-10-4-5-16-8-10/h1-3,6,10,13H,4-5,8H2
InChIKeyFRRDJVHLXOTLBI-UHFFFAOYSA-N
XLogP0.63
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651396
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide
CID 133268312
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(oxolan-3-yl)benzenesulfonamide (CID 80714272) is 3-cyano-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(oxolan-3-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of 3-cyano-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is FRRDJVHLXOTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c12-7-9-2-1-3-11(6-9)17(14,15)13-10-4-5-16-8-10/h1-3,6,10,13H,4-5,8H2.
What are the key properties of 3-cyano-N-(oxolan-3-yl)benzenesulfonamide?
3-cyano-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 252.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 80714272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).