N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide

C16H17FN2O2S — CID 120724289

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H17FN2O2S/c17-16-3-1-2-13(7-16)11-22(20,21)19-8-12-4-5-14-9-18-10-15(14)6-12/h1-7,18-19H,8-11H2
InChIKeySUZDYHWNYJVQJC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.05
Rot. Bonds5

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 120724289) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID120724289
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H17FN2O2S/c17-16-3-1-2-13(7-16)11-22(20,21)19-8-12-4-5-14-9-18-10-15(14)6-12/h1-7,18-19H,8-11H2
InChIKeySUZDYHWNYJVQJC-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide (CID 120724289) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is SUZDYHWNYJVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-16-3-1-2-13(7-16)11-22(20,21)19-8-12-4-5-14-9-18-10-15(14)6-12/h1-7,18-19H,8-11H2.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 120724289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).