1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide

C22H27FN2O3S — CID 167709101

IUPAC1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
SMILESCCN1CCCC(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1
InChIInChI=1S/C22H27FN2O3S/c1-3-25-11-7-10-19(15-25)29(27,28)24-14-21(26)20-13-18(12-16(2)22(20)23)17-8-5-4-6-9-17/h4-6,8-9,12-13,19,24H,3,7,10-11,14-15H2,1-2H3
InChIKeyZLDLKFZRYVXMFA-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.39
Rot. Bonds7

About 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide

1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide (PubChem CID 167709101) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
PubChem CID167709101
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
SMILESCCN1CCCC(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1
InChIInChI=1S/C22H27FN2O3S/c1-3-25-11-7-10-19(15-25)29(27,28)24-14-21(26)20-13-18(12-16(2)22(20)23)17-8-5-4-6-9-17/h4-6,8-9,12-13,19,24H,3,7,10-11,14-15H2,1-2H3
InChIKeyZLDLKFZRYVXMFA-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 167555981
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108
tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoyl]piperidine-1-carboxylate
CID 167611676
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
CID 167622583
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
CID 167570004
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
CID 167684328
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
CID 167641467
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581312

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide (CID 167709101) is 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide is CCN1CCCC(S(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)C1.
What is the InChIKey of 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide?
The InChIKey is ZLDLKFZRYVXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-3-25-11-7-10-19(15-25)29(27,28)24-14-21(26)20-13-18(12-16(2)22(20)23)17-8-5-4-6-9-17/h4-6,8-9,12-13,19,24H,3,7,10-11,14-15H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide?
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide has a molecular weight of 418.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide is sourced from PubChem (CID 167709101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).