3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

C11H17FN2O3S — CID 113468559

IUPAC3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5,13H2,1H3
InChIKeyJDDRDQJTJLAGAW-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.80
Rot. Bonds6

About 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 113468559) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID113468559
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5,13H2,1H3
InChIKeyJDDRDQJTJLAGAW-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.80
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-N-ethyl-5-fluoro-N-propylbenzenesulfonamide
CID 63322173
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
3-amino-5-fluoro-N,N-dipropylbenzenesulfonamide
CID 63322122
2-[(3-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 63322009
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
3-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322704
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
3-amino-N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 63322527
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
3-[3-(dimethylamino)propylsulfonyl]-5-fluoroaniline
CID 114526905
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 113468559) is 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is JDDRDQJTJLAGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-2-14(4-3-5-15)18(16,17)11-7-9(12)6-10(13)8-11/h6-8,15H,2-5,13H2,1H3.
What are the key properties of 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 113468559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).