N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide

C18H18F2N2O3S — CID 146520586

IUPACN-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cc(F)c(N2CCCCC2=O)c(F)c1
InChIInChI=1S/C18H18F2N2O3S/c1-26(24,25)21-16-7-3-2-6-13(16)12-10-14(19)18(15(20)11-12)22-9-5-4-8-17(22)23/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3
InChIKeyMAMFTGDITOEDMI-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.52
Rot. Bonds4

About N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide

N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide (PubChem CID 146520586) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide
PubChem CID146520586
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cc(F)c(N2CCCCC2=O)c(F)c1
InChIInChI=1S/C18H18F2N2O3S/c1-26(24,25)21-16-7-3-2-6-13(16)12-10-14(19)18(15(20)11-12)22-9-5-4-8-17(22)23/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3
InChIKeyMAMFTGDITOEDMI-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide
CID 87121678
N-[2-[4-[(3S)-3-[3-(2-fluoro-4-methylphenyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
CID 160803006
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
1-[2,6-difluoro-4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]phenyl]pyrrolidin-2-one
CID 167333442
N-[3,4-difluoro-2-[[2-fluoro-4-[2-(methanesulfonamido)phenyl]phenyl]methyl]phenyl]cyclopropanesulfonamide
CID 58133117
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
N-[2-[3-ethyl-4-[(3S)-3-[3-(3-fluoro-5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopiperidin-1-yl]phenyl]phenyl]methanesulfonamide
CID 159575047

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide (CID 146520586) is N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1cc(F)c(N2CCCCC2=O)c(F)c1.
What is the InChIKey of N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide?
The InChIKey is MAMFTGDITOEDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-26(24,25)21-16-7-3-2-6-13(16)12-10-14(19)18(15(20)11-12)22-9-5-4-8-17(22)23/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3.
What are the key properties of N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide?
N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-difluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 146520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).