3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide

C11H16ClFN2O2S2 — CID 103052135

IUPAC3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O2S2/c1-3-18-6-7(2)15-19(16,17)10-5-8(12)4-9(14)11(10)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyGYPURKYJXGGRAV-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.48
Rot. Bonds6

About 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 103052135) has the molecular formula C11H16ClFN2O2S2 and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
PubChem CID103052135
Molecular FormulaC11H16ClFN2O2S2
Molecular Weight326.85 g/mol
Exact Mass326.03
IUPAC Name3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O2S2/c1-3-18-6-7(2)15-19(16,17)10-5-8(12)4-9(14)11(10)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyGYPURKYJXGGRAV-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.48
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

3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 113498915
3-(aminomethyl)-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzenesulfonamide
CID 106083402
2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
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-thiophen-2-ylpropyl)benzenesulfonamide
CID 103051123
3-amino-5-chloro-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114378688
3-(aminomethyl)-5-chloro-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 106046589
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-5-(methylaminomethyl)benzenesulfonamide
CID 106083219
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide (CID 103052135) is 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide is CCSCC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is GYPURKYJXGGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S2/c1-3-18-6-7(2)15-19(16,17)10-5-8(12)4-9(14)11(10)13/h4-5,7,15H,3,6,14H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 326.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103052135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).