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

C10H9FN2O2S2 — CID 66350557

IUPAC4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccsc2)c(F)c1
InChIInChI=1S/C10H9FN2O2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2
InChIKeyYUDSJSQZMIBBBS-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.27
Rot. Bonds3

About 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide

4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66350557) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66350557
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccsc2)c(F)c1
InChIInChI=1S/C10H9FN2O2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2
InChIKeyYUDSJSQZMIBBBS-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-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 106070126
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 66352575
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide (CID 66350557) is 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccsc2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is YUDSJSQZMIBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H,12H2.
What are the key properties of 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide?
4-amino-2-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 4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66350557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).