N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

C16H21ClFNO4S — CID 167558493

IUPACN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)CC2CCOCC2)c1
InChIInChI=1S/C16H21ClFNO4S/c1-2-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)10-12-3-5-23-6-4-12/h7-8,12,19H,2-6,9-10H2,1H3
InChIKeyUMLQSWXDALYCLX-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 167558493) has the molecular formula C16H21ClFNO4S and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID167558493
Molecular FormulaC16H21ClFNO4S
Molecular Weight377.87 g/mol
Exact Mass377.09
IUPAC NameN-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESCCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)CC2CCOCC2)c1
InChIInChI=1S/C16H21ClFNO4S/c1-2-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)10-12-3-5-23-6-4-12/h7-8,12,19H,2-6,9-10H2,1H3
InChIKeyUMLQSWXDALYCLX-UHFFFAOYSA-N
XLogP2.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.57
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]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (CID 167558493) is N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide is CCc1cc(Cl)c(F)c(C(=O)CNS(=O)(=O)CC2CCOCC2)c1.
What is the InChIKey of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is UMLQSWXDALYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO4S/c1-2-11-7-13(16(18)14(17)8-11)15(20)9-19-24(21,22)10-12-3-5-23-6-4-12/h7-8,12,19H,2-6,9-10H2,1H3.
What are the key properties of N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
N-[2-(3-chloro-5-ethyl-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 377.87 g/mol, XLogP of 2.57, 7 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]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 167558493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).