3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

C13H14ClFN2O2S2 — CID 103051123

IUPAC3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1cccs1
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-10(11-4-3-5-20-11)17-21(18,19)12-7-8(14)6-9(16)13(12)15/h3-7,10,17H,2,16H2,1H3
InChIKeyQLNYHPZBUXLVCE-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.55
Rot. Bonds5

About 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 103051123) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID103051123
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC Name3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1cccs1
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-10(11-4-3-5-20-11)17-21(18,19)12-7-8(14)6-9(16)13(12)15/h3-7,10,17H,2,16H2,1H3
InChIKeyQLNYHPZBUXLVCE-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.55
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-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103052135
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348102
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583
3-(1-thiophen-2-ylpropylsulfamoyl)pyridine-2-carbothioamide
CID 106596907
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide (CID 103051123) is 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1cc(Cl)cc(N)c1F)c1cccs1.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is QLNYHPZBUXLVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-2-10(11-4-3-5-20-11)17-21(18,19)12-7-8(14)6-9(16)13(12)15/h3-7,10,17H,2,16H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 103051123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).