N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C20H23FN2O3S — CID 51121443

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23FN2O3S/c21-17-3-1-15(2-4-17)14-23-10-7-18(8-11-23)22-27(24,25)19-5-6-20-16(13-19)9-12-26-20/h1-6,13,18,22H,7-12,14H2
InChIKeyWGBDSLKTUBAPHB-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.70
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51121443) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51121443
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H23FN2O3S/c21-17-3-1-15(2-4-17)14-23-10-7-18(8-11-23)22-27(24,25)19-5-6-20-16(13-19)9-12-26-20/h1-6,13,18,22H,7-12,14H2
InChIKeyWGBDSLKTUBAPHB-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51121443) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is WGBDSLKTUBAPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-17-3-1-15(2-4-17)14-23-10-7-18(8-11-23)22-27(24,25)19-5-6-20-16(13-19)9-12-26-20/h1-6,13,18,22H,7-12,14H2.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 390.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51121443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).