3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C12H17FN2O3S — CID 63322186

IUPAC3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-5-4-15(11-2-3-11)19(16,17)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5,14H2,1H3
InChIKeyFFVXISLGCDQFRR-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide

3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 63322186) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID63322186
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-5-4-15(11-2-3-11)19(16,17)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5,14H2,1H3
InChIKeyFFVXISLGCDQFRR-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 63322186) is 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is FFVXISLGCDQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-5-4-15(11-2-3-11)19(16,17)12-7-9(13)6-10(14)8-12/h6-8,11H,2-5,14H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 63322186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).