3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide

C11H17FN2O2S — CID 63322173

IUPAC3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-3-5-14(4-2)17(15,16)11-7-9(12)6-10(13)8-11/h6-8H,3-5,13H2,1-2H3
InChIKeyAEQQLTVAGUJLMC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide

3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide (PubChem CID 63322173) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
PubChem CID63322173
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
SMILESCCCN(CC)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-3-5-14(4-2)17(15,16)11-7-9(12)6-10(13)8-11/h6-8H,3-5,13H2,1-2H3
InChIKeyAEQQLTVAGUJLMC-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
CID 63322122
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
3-amino-N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322527
3-amino-5-fluoro-4-methyl-N,N-dipropylbenzenesulfonamide
CID 116791316
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide (CID 63322173) is 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide is CCCN(CC)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide?
The InChIKey is AEQQLTVAGUJLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-3-5-14(4-2)17(15,16)11-7-9(12)6-10(13)8-11/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide?
3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-fluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 63322173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).