4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

C13H15FN2O2S2 — CID 82844715

IUPAC4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1cccs1
InChIInChI=1S/C13H15FN2O2S2/c1-2-12(13-4-3-7-19-13)16-20(17,18)9-5-6-11(15)10(14)8-9/h3-8,12,16H,2,15H2,1H3
InChIKeyWURHGTPBLORLAV-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 82844715) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID82844715
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1cccs1
InChIInChI=1S/C13H15FN2O2S2/c1-2-12(13-4-3-7-19-13)16-20(17,18)9-5-6-11(15)10(14)8-9/h3-8,12,16H,2,15H2,1H3
InChIKeyWURHGTPBLORLAV-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
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

4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 103051123
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
3-oxo-N-(1-thiophen-2-ylpropyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550073
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
2-(4-amino-3-fluorophenyl)sulfonylbutanenitrile
CID 81186604
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 82844047

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (CID 82844715) is 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(N)c(F)c1)c1cccs1.
What is the InChIKey of 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is WURHGTPBLORLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-2-12(13-4-3-7-19-13)16-20(17,18)9-5-6-11(15)10(14)8-9/h3-8,12,16H,2,15H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 82844715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).