2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H13FN2O3S — CID 60986314

IUPAC2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyRVGFPKCKVLTOLM-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.07
Rot. Bonds4

About 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 60986314) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID60986314
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyRVGFPKCKVLTOLM-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 60986314) is 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is RVGFPKCKVLTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)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 2-amino-5-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60986314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).