3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide

C17H17FN2O3S — CID 121179869

IUPAC3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
SMILESCn1ccc2cc(C(O)CNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-8-7-12-9-13(5-6-16(12)20)17(21)11-19-24(22,23)15-4-2-3-14(18)10-15/h2-10,17,19,21H,11H2,1H3
InChIKeyIYIQQAZIWLFKRU-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide

3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide (PubChem CID 121179869) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
PubChem CID121179869
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
SMILESCn1ccc2cc(C(O)CNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-8-7-12-9-13(5-6-16(12)20)17(21)11-19-24(22,23)15-4-2-3-14(18)10-15/h2-10,17,19,21H,11H2,1H3
InChIKeyIYIQQAZIWLFKRU-UHFFFAOYSA-N
XLogP2.33
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide (CID 121179869) is 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide is Cn1ccc2cc(C(O)CNS(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is IYIQQAZIWLFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20-8-7-12-9-13(5-6-16(12)20)17(21)11-19-24(22,23)15-4-2-3-14(18)10-15/h2-10,17,19,21H,11H2,1H3.
What are the key properties of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).