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

C17H17FN2O3S — CID 97414078

IUPAC2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc([C@@H](O)CNS(=O)(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-11-13(12-6-2-4-8-15(12)20)16(21)10-19-24(22,23)17-9-5-3-7-14(17)18/h2-9,11,16,19,21H,10H2,1H3/t16-/m0/s1
InChIKeyMVMIJMYJOSQOCU-INIZCTEOSA-N
MW348.40 g/mol
LogP2.33
Rot. Bonds5

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

2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 97414078) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID97414078
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc([C@@H](O)CNS(=O)(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C17H17FN2O3S/c1-20-11-13(12-6-2-4-8-15(12)20)16(21)10-19-24(22,23)17-9-5-3-7-14(17)18/h2-9,11,16,19,21H,10H2,1H3/t16-/m0/s1
InChIKeyMVMIJMYJOSQOCU-INIZCTEOSA-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 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 97414078) is 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc([C@@H](O)CNS(=O)(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is MVMIJMYJOSQOCU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20-11-13(12-6-2-4-8-15(12)20)16(21)10-19-24(22,23)17-9-5-3-7-14(17)18/h2-9,11,16,19,21H,10H2,1H3/t16-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-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 2-fluoro-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97414078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).