N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide

C22H25ClFNO4S — CID 73296339

IUPACN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C
InChIInChI=1S/C22H25ClFNO4S/c1-15(2)25(16(3)26)21-9-4-17(14-20(21)24)22(10-12-29-13-11-22)30(27,28)19-7-5-18(23)6-8-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyCXJNNXOLOFTDEY-UHFFFAOYSA-N
MW453.96 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide

N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide (PubChem CID 73296339) has the molecular formula C22H25ClFNO4S and a molecular weight of 453.96 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide
PubChem CID73296339
Molecular FormulaC22H25ClFNO4S
Molecular Weight453.96 g/mol
Exact Mass453.12
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C
InChIInChI=1S/C22H25ClFNO4S/c1-15(2)25(16(3)26)21-9-4-17(14-20(21)24)22(10-12-29-13-11-22)30(27,28)19-7-5-18(23)6-8-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyCXJNNXOLOFTDEY-UHFFFAOYSA-N
XLogP4.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.96
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide (CID 73296339) is N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide is CC(=O)N(c1ccc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1F)C(C)C.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide?
The InChIKey is CXJNNXOLOFTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNO4S/c1-15(2)25(16(3)26)21-9-4-17(14-20(21)24)22(10-12-29-13-11-22)30(27,28)19-7-5-18(23)6-8-19/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide?
N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide has a molecular weight of 453.96 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-2-fluorophenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 73296339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).