(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate

C10H6FNO5S2 — CID 26949024

IUPAC(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate
SMILESO=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cccs1
InChIInChI=1S/C10H6FNO5S2/c11-7-3-4-8(12(13)14)9(6-7)17-19(15,16)10-2-1-5-18-10/h1-6H
InChIKeyKOBIWWZTKHELCE-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.56
Rot. Bonds4

About (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate

(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate (PubChem CID 26949024) has the molecular formula C10H6FNO5S2 and a molecular weight of 303.29 g/mol. Its IUPAC name is (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate.

Molecular Properties

Compound Name(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate
PubChem CID26949024
Molecular FormulaC10H6FNO5S2
Molecular Weight303.29 g/mol
Exact Mass302.97
IUPAC Name(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate
SMILESO=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cccs1
InChIInChI=1S/C10H6FNO5S2/c11-7-3-4-8(12(13)14)9(6-7)17-19(15,16)10-2-1-5-18-10/h1-6H
InChIKeyKOBIWWZTKHELCE-UHFFFAOYSA-N
XLogP2.56
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate 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

(2,4-dinitrophenyl) thiophene-2-sulfonate
CID 13159815
(5-fluoro-2-nitrophenyl) 4-chlorobenzenesulfonate
CID 18075034
(5-fluoro-2-nitrophenyl) 2-chlorobenzenesulfonate
CID 26949065
(5-fluoro-2-nitrophenyl) 2-methyl-3-nitrobenzenesulfonate
CID 35297161
(5-fluoro-2-nitrophenyl) 4-tert-butylbenzenesulfonate
CID 26949055
(5-fluoro-2-nitrophenyl) 4-bromo-2,6-dichlorobenzenesulfonate
CID 26949061
(5-fluoro-2-nitrophenyl) 4-acetylbenzenesulfonate
CID 26949045
(5-fluoro-2-nitrophenyl) 2,5-dibromobenzenesulfonate
CID 26949053
(5-fluoro-2-nitrophenyl) 2,3-dihydro-1-benzofuran-5-sulfonate
CID 46807919
(4-nitro-2-thiophen-2-ylphenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate
CID 35316948
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate?
The IUPAC name of (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate (CID 26949024) is (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate.
What is the SMILES notation for (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate?
The canonical SMILES for (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate is O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cccs1.
What is the InChIKey of (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate?
The InChIKey is KOBIWWZTKHELCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO5S2/c11-7-3-4-8(12(13)14)9(6-7)17-19(15,16)10-2-1-5-18-10/h1-6H.
What are the key properties of (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate?
(5-fluoro-2-nitrophenyl) thiophene-2-sulfonate has a molecular weight of 303.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-nitrophenyl) thiophene-2-sulfonate is sourced from PubChem (CID 26949024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).