2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide

C11H11FN2O2S2 — CID 113318697

IUPAC2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C11H11FN2O2S2/c12-10-2-1-3-11(9(10)6-13)18(15,16)14-8-4-5-17-7-8/h1-3,8,14H,4-5,7H2
InChIKeyUSQCMNMOFAMLQS-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.48
Rot. Bonds3

About 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide

2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 113318697) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID113318697
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C11H11FN2O2S2/c12-10-2-1-3-11(9(10)6-13)18(15,16)14-8-4-5-17-7-8/h1-3,8,14H,4-5,7H2
InChIKeyUSQCMNMOFAMLQS-UHFFFAOYSA-N
XLogP1.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
2-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-fluorobenzenesulfonamide
CID 107857417
2-cyano-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 75387225
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 83016497
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
CID 103833545
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-6-fluorobenzonitrile
CID 79036980

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide (CID 113318697) is 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is USQCMNMOFAMLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c12-10-2-1-3-11(9(10)6-13)18(15,16)14-8-4-5-17-7-8/h1-3,8,14H,4-5,7H2.
What are the key properties of 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide?
2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 113318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).