N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide

C20H20ClF2NO3S — CID 167659738

IUPACN-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2F)cc(Cl)c1F
InChIInChI=1S/C20H20ClF2NO3S/c21-17-11-13(15-8-4-5-9-18(15)22)10-16(20(17)23)19(25)12-24-28(26,27)14-6-2-1-3-7-14/h4-5,8-11,14,24H,1-3,6-7,12H2
InChIKeyIOQDWWUBHZFLSA-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.72
Rot. Bonds6

About N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide

N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (PubChem CID 167659738) has the molecular formula C20H20ClF2NO3S and a molecular weight of 427.90 g/mol. Its IUPAC name is N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
PubChem CID167659738
Molecular FormulaC20H20ClF2NO3S
Molecular Weight427.90 g/mol
Exact Mass427.08
IUPAC NameN-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2F)cc(Cl)c1F
InChIInChI=1S/C20H20ClF2NO3S/c21-17-11-13(15-8-4-5-9-18(15)22)10-16(20(17)23)19(25)12-24-28(26,27)14-6-2-1-3-7-14/h4-5,8-11,14,24H,1-3,6-7,12H2
InChIKeyIOQDWWUBHZFLSA-UHFFFAOYSA-N
XLogP4.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
CID 167573284
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167570070
N-phenacylcyclohexanesulfonamide
CID 64993938
N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
CID 167622583
5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581227
N-[2-[3-chloro-2-fluoro-5-(4-hydroxybutanoyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide
CID 167592967
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
CID 167709101
N-[2-(5-fluoro-1-methyl-6-phenylbenzimidazol-4-yl)-2-oxoethyl]cyclohexanesulfonamide
CID 167674926
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 167641470
N-[2-[5-(4-aminophenyl)-3-chloro-2-fluorophenyl]-2-oxoethyl]oxane-4-sulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-cyclohexylmethanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide;N-[2-[3-chloro-2-fluoro-5-(4-hydroxyphenyl)phenyl]-2-oxoethyl]oxane-4-sulfonamide;3-[3-[2-(cyclohexylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-methylbenzamide
CID 167555958

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide (CID 167659738) is N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is O=C(CNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2F)cc(Cl)c1F.
What is the InChIKey of N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
The InChIKey is IOQDWWUBHZFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2NO3S/c21-17-11-13(15-8-4-5-9-18(15)22)10-16(20(17)23)19(25)12-24-28(26,27)14-6-2-1-3-7-14/h4-5,8-11,14,24H,1-3,6-7,12H2.
What are the key properties of N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide?
N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide has a molecular weight of 427.90 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide is sourced from PubChem (CID 167659738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).