N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

C22H25FN2O4S — CID 55655157

IUPACN-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4S/c23-18-5-8-21(9-6-18)30(27,28)24-19-10-12-25(13-11-19)22(26)15-29-20-7-4-16-2-1-3-17(16)14-20/h4-9,14,19,24H,1-3,10-13,15H2
InChIKeyNZOPMESZDWJWMH-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.66
Rot. Bonds6

About N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 55655157) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID55655157
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC NameN-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4S/c23-18-5-8-21(9-6-18)30(27,28)24-19-10-12-25(13-11-19)22(26)15-29-20-7-4-16-2-1-3-17(16)14-20/h4-9,14,19,24H,1-3,10-13,15H2
InChIKeyNZOPMESZDWJWMH-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 55655157) is N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is O=C(COc1ccc2c(c1)CCC2)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is NZOPMESZDWJWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c23-18-5-8-21(9-6-18)30(27,28)24-19-10-12-25(13-11-19)22(26)15-29-20-7-4-16-2-1-3-17(16)14-20/h4-9,14,19,24H,1-3,10-13,15H2.
What are the key properties of N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 55655157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).