5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

C9H13FN2O3S — CID 43255568

IUPAC5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C9H13FN2O3S/c10-8-3-2-7(11)6-9(8)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2
InChIKeyYQWYRJOJSVRJHH-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.07
Rot. Bonds5

About 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 43255568) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID43255568
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NCCCO)c1
InChIInChI=1S/C9H13FN2O3S/c10-8-3-2-7(11)6-9(8)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2
InChIKeyYQWYRJOJSVRJHH-UHFFFAOYSA-N
XLogP0.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 43255568) is 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)NCCCO)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is YQWYRJOJSVRJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c10-8-3-2-7(11)6-9(8)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5,11H2.
What are the key properties of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43255568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).