5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide

C11H7FN2O3S2 — CID 106272305

IUPAC5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1
InChIInChI=1S/C11H7FN2O3S2/c12-9-5-7(15)1-3-10(9)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H
InChIKeyHMQUZFXXZWAAEU-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.27
Rot. Bonds3

About 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide

5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide (PubChem CID 106272305) has the molecular formula C11H7FN2O3S2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
PubChem CID106272305
Molecular FormulaC11H7FN2O3S2
Molecular Weight298.32 g/mol
Exact Mass297.99
IUPAC Name5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1
InChIInChI=1S/C11H7FN2O3S2/c12-9-5-7(15)1-3-10(9)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H
InChIKeyHMQUZFXXZWAAEU-UHFFFAOYSA-N
XLogP2.27
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64786901
N-(2-fluoro-4-hydroxyphenyl)-5-methylthiophene-2-sulfonamide
CID 64786506
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272334
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(6-amino-2,3-difluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265286
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide (CID 106272305) is 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1.
What is the InChIKey of 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide?
The InChIKey is HMQUZFXXZWAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3S2/c12-9-5-7(15)1-3-10(9)14-19(16,17)11-4-2-8(6-13)18-11/h1-5,14-15H.
What are the key properties of 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide?
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106272305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).