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

C9H13FN2O3S — CID 43498706

IUPAC5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H13FN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3
InChIKeyQQROGXBJQMLCCN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.07
Rot. Bonds4

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

5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 43498706) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID43498706
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H13FN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3
InChIKeyQQROGXBJQMLCCN-UHFFFAOYSA-N
XLogP0.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (CID 43498706) is 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is QQROGXBJQMLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.07, 4 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-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43498706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).