2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide

C10H9FN2O2S2 — CID 66351438

IUPAC2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H9FN2O2S2/c11-7-1-2-9(12)10(5-7)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2
InChIKeySQOXYXDXYVBATP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide

2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66351438) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66351438
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H9FN2O2S2/c11-7-1-2-9(12)10(5-7)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2
InChIKeySQOXYXDXYVBATP-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 60985991
4-fluoro-2-(2-thiophen-3-ylethylsulfonyl)aniline
CID 81182928
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide (CID 66351438) is 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is SQOXYXDXYVBATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c11-7-1-2-9(12)10(5-7)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2.
What are the key properties of 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide?
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66351438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).