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

C15H19ClFNO4S — CID 167558492

IUPACN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide
SMILESCCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C15H19ClFNO4S/c1-2-10-7-12(15(17)13(16)8-10)14(19)9-18-23(20,21)11-3-5-22-6-4-11/h7-8,11,18H,2-6,9H2,1H3
InChIKeyIJESSRXDNNESSX-UHFFFAOYSA-N
MW363.84 g/mol
LogP2.32
Rot. Bonds6

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

N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide (PubChem CID 167558492) has the molecular formula C15H19ClFNO4S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide
PubChem CID167558492
Molecular FormulaC15H19ClFNO4S
Molecular Weight363.84 g/mol
Exact Mass363.07
IUPAC NameN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide
SMILESCCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C15H19ClFNO4S/c1-2-10-7-12(15(17)13(16)8-10)14(19)9-18-23(20,21)11-3-5-22-6-4-11/h7-8,11,18H,2-6,9H2,1H3
InChIKeyIJESSRXDNNESSX-UHFFFAOYSA-N
XLogP2.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide (CID 167558492) is N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide is CCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide?
The InChIKey is IJESSRXDNNESSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO4S/c1-2-10-7-12(15(17)13(16)8-10)14(19)9-18-23(20,21)11-3-5-22-6-4-11/h7-8,11,18H,2-6,9H2,1H3.
What are the key properties of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide?
N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide has a molecular weight of 363.84 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]oxane-4-sulfonamide is sourced from PubChem (CID 167558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).