N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O2S — CID 120723797

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c1-11-2-5-15(7-16(11)17(18,19)20)25(23,24)22-8-12-3-4-13-9-21-10-14(13)6-12/h2-7,21-22H,8-10H2,1H3
InChIKeyPEYNDOQCNFSVIW-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.10
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 120723797) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID120723797
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c1-11-2-5-15(7-16(11)17(18,19)20)25(23,24)22-8-12-3-4-13-9-21-10-14(13)6-12/h2-7,21-22H,8-10H2,1H3
InChIKeyPEYNDOQCNFSVIW-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.10
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)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 120723797) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PEYNDOQCNFSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-11-2-5-15(7-16(11)17(18,19)20)25(23,24)22-8-12-3-4-13-9-21-10-14(13)6-12/h2-7,21-22H,8-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 3.10, 4 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)-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120723797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).