3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide

C14H15FN2O3S — CID 103864215

IUPAC3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCOC2C2CC2)ccc1F
InChIInChI=1S/C14H15FN2O3S/c15-12-4-3-11(7-10(12)8-16)21(18,19)17-13-5-6-20-14(13)9-1-2-9/h3-4,7,9,13-14,17H,1-2,5-6H2
InChIKeyVPWSMWUAIUKJDZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.54
Rot. Bonds4

About 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide

3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 103864215) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
PubChem CID103864215
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCOC2C2CC2)ccc1F
InChIInChI=1S/C14H15FN2O3S/c15-12-4-3-11(7-10(12)8-16)21(18,19)17-13-5-6-20-14(13)9-1-2-9/h3-4,7,9,13-14,17H,1-2,5-6H2
InChIKeyVPWSMWUAIUKJDZ-UHFFFAOYSA-N
XLogP1.54
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
CID 146109222
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide (CID 103864215) is 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)NC2CCOC2C2CC2)ccc1F.
What is the InChIKey of 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is VPWSMWUAIUKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-12-4-3-11(7-10(12)8-16)21(18,19)17-13-5-6-20-14(13)9-1-2-9/h3-4,7,9,13-14,17H,1-2,5-6H2.
What are the key properties of 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide?
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 103864215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).