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

C11H17FN2O2S2 — CID 113498915

IUPAC5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O2S2/c1-3-17-7-8(2)14-18(15,16)11-6-9(13)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyZSLHBKAALBJKNA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.83
Rot. Bonds6

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

5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 113498915) has the molecular formula C11H17FN2O2S2 and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
PubChem CID113498915
Molecular FormulaC11H17FN2O2S2
Molecular Weight292.40 g/mol
Exact Mass292.07
IUPAC Name5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O2S2/c1-3-17-7-8(2)14-18(15,16)11-6-9(13)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyZSLHBKAALBJKNA-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.83
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

5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
3-amino-5-chloro-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103052135
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
5-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 106083355
3-cyano-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 115662785
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide (CID 113498915) is 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide is CCSCC(C)NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is ZSLHBKAALBJKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S2/c1-3-17-7-8(2)14-18(15,16)11-6-9(13)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide?
5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 113498915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).