N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide

C19H23ClFNO5S — CID 167588967

IUPACN-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide
SMILESO=C(CC1CCC1)c1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C19H23ClFNO5S/c20-16-10-13(17(23)8-12-2-1-3-12)9-15(19(16)21)18(24)11-22-28(25,26)14-4-6-27-7-5-14/h9-10,12,14,22H,1-8,11H2
InChIKeyFOBCHIMVTLQXOF-UHFFFAOYSA-N
MW431.91 g/mol
LogP3.13
Rot. Bonds8

About N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide

N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide (PubChem CID 167588967) has the molecular formula C19H23ClFNO5S and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide
PubChem CID167588967
Molecular FormulaC19H23ClFNO5S
Molecular Weight431.91 g/mol
Exact Mass431.10
IUPAC NameN-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide
SMILESO=C(CC1CCC1)c1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C19H23ClFNO5S/c20-16-10-13(17(23)8-12-2-1-3-12)9-15(19(16)21)18(24)11-22-28(25,26)14-4-6-27-7-5-14/h9-10,12,14,22H,1-8,11H2
InChIKeyFOBCHIMVTLQXOF-UHFFFAOYSA-N
XLogP3.13
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide (CID 167588967) is N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide is O=C(CC1CCC1)c1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide?
The InChIKey is FOBCHIMVTLQXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO5S/c20-16-10-13(17(23)8-12-2-1-3-12)9-15(19(16)21)18(24)11-22-28(25,26)14-4-6-27-7-5-14/h9-10,12,14,22H,1-8,11H2.
What are the key properties of N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide?
N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide has a molecular weight of 431.91 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(2-cyclobutylacetyl)-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide is sourced from PubChem (CID 167588967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).