3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide

C11H7FN2O2S2 — CID 66354770

IUPAC3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccsc2)ccc1F
InChIInChI=1S/C11H7FN2O2S2/c12-11-2-1-10(5-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-5,7,14H
InChIKeyODWQWMXIGPQRFD-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.56
Rot. Bonds3

About 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide

3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66354770) has the molecular formula C11H7FN2O2S2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66354770
Molecular FormulaC11H7FN2O2S2
Molecular Weight282.32 g/mol
Exact Mass281.99
IUPAC Name3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccsc2)ccc1F
InChIInChI=1S/C11H7FN2O2S2/c12-11-2-1-10(5-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-5,7,14H
InChIKeyODWQWMXIGPQRFD-UHFFFAOYSA-N
XLogP2.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
CID 59436522
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide (CID 66354770) is 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccsc2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is ODWQWMXIGPQRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2S2/c12-11-2-1-10(5-8(11)6-13)18(15,16)14-9-3-4-17-7-9/h1-5,7,14H.
What are the key properties of 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66354770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).