N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

C18H23ClFNO5S — CID 167556453

IUPACN-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)CC1CCOCC1)c1cc(C2CCCO2)cc(Cl)c1F
InChIInChI=1S/C18H23ClFNO5S/c19-15-9-13(17-2-1-5-26-17)8-14(18(15)20)16(22)10-21-27(23,24)11-12-3-6-25-7-4-12/h8-9,12,17,21H,1-7,10-11H2
InChIKeyUHMQXRRJEDXIEE-UHFFFAOYSA-N
MW419.90 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide

N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 167556453) has the molecular formula C18H23ClFNO5S and a molecular weight of 419.90 g/mol. Its IUPAC name is N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID167556453
Molecular FormulaC18H23ClFNO5S
Molecular Weight419.90 g/mol
Exact Mass419.10
IUPAC NameN-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)CC1CCOCC1)c1cc(C2CCCO2)cc(Cl)c1F
InChIInChI=1S/C18H23ClFNO5S/c19-15-9-13(17-2-1-5-26-17)8-14(18(15)20)16(22)10-21-27(23,24)11-12-3-6-25-7-4-12/h8-9,12,17,21H,1-7,10-11H2
InChIKeyUHMQXRRJEDXIEE-UHFFFAOYSA-N
XLogP2.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.90
LogP ≤ 52.86
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-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide (CID 167556453) is N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide is O=C(CNS(=O)(=O)CC1CCOCC1)c1cc(C2CCCO2)cc(Cl)c1F.
What is the InChIKey of N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is UHMQXRRJEDXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFNO5S/c19-15-9-13(17-2-1-5-26-17)8-14(18(15)20)16(22)10-21-27(23,24)11-12-3-6-25-7-4-12/h8-9,12,17,21H,1-7,10-11H2.
What are the key properties of N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide?
N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 419.90 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-2-fluoro-5-(oxolan-2-yl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 167556453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).