N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H20FNO4S — CID 97428484

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1F
InChIInChI=1S/C18H20FNO4S/c1-18(23-2,15-5-3-4-6-16(15)19)12-20-25(21,22)14-7-8-17-13(11-14)9-10-24-17/h3-8,11,20H,9-10,12H2,1-2H3/t18-/m0/s1
InChIKeyRUIIBHKYXAIKDT-SFHVURJKSA-N
MW365.43 g/mol
LogP2.60
Rot. Bonds6

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 97428484) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID97428484
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1F
InChIInChI=1S/C18H20FNO4S/c1-18(23-2,15-5-3-4-6-16(15)19)12-20-25(21,22)14-7-8-17-13(11-14)9-10-24-17/h3-8,11,20H,9-10,12H2,1-2H3/t18-/m0/s1
InChIKeyRUIIBHKYXAIKDT-SFHVURJKSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 97428484) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CO[C@@](C)(CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is RUIIBHKYXAIKDT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-18(23-2,15-5-3-4-6-16(15)19)12-20-25(21,22)14-7-8-17-13(11-14)9-10-24-17/h3-8,11,20H,9-10,12H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 365.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 97428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).