5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide

C11H4F4N2O2S2 — CID 106269400

IUPAC5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C11H4F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)17-21(18,19)8-2-1-5(4-16)20-8/h1-3,17H
InChIKeyHXHHBVHWHDOSFC-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.98
Rot. Bonds3

About 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide

5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide (PubChem CID 106269400) has the molecular formula C11H4F4N2O2S2 and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
PubChem CID106269400
Molecular FormulaC11H4F4N2O2S2
Molecular Weight336.29 g/mol
Exact Mass335.97
IUPAC Name5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C11H4F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)17-21(18,19)8-2-1-5(4-16)20-8/h1-3,17H
InChIKeyHXHHBVHWHDOSFC-UHFFFAOYSA-N
XLogP2.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide 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

N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265286
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 106268431
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide (CID 106269400) is 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)s1.
What is the InChIKey of 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
The InChIKey is HXHHBVHWHDOSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F4N2O2S2/c12-6-3-7(13)10(15)11(9(6)14)17-21(18,19)8-2-1-5(4-16)20-8/h1-3,17H.
What are the key properties of 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide?
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide has a molecular weight of 336.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).