3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C8H11FN2O3S — CID 43167692

IUPAC3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCO)ccc1F
InChIInChI=1S/C8H11FN2O3S/c9-7-2-1-6(5-8(7)10)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeyPJTYFQVBTICLPV-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.32
Rot. Bonds4

About 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43167692) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43167692
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCO)ccc1F
InChIInChI=1S/C8H11FN2O3S/c9-7-2-1-6(5-8(7)10)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeyPJTYFQVBTICLPV-UHFFFAOYSA-N
XLogP-0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.32
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-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43167692) is 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCO)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is PJTYFQVBTICLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c9-7-2-1-6(5-8(7)10)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 234.25 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).