3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide

C11H15FN2O3S — CID 63322681

IUPAC3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-9(13)5-10(4-8)18(16,17)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2
InChIKeyOGOKBKQDUKJHAU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds5

About 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide (PubChem CID 63322681) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide
PubChem CID63322681
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC(O)C2CC2)c1
InChIInChI=1S/C11H15FN2O3S/c12-8-3-9(13)5-10(4-8)18(16,17)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2
InChIKeyOGOKBKQDUKJHAU-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
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-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide (CID 63322681) is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCC(O)C2CC2)c1.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide?
The InChIKey is OGOKBKQDUKJHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-8-3-9(13)5-10(4-8)18(16,17)14-6-11(15)7-1-2-7/h3-5,7,11,14-15H,1-2,6,13H2.
What are the key properties of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide?
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63322681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).