N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide

C14H20F2N2O2S — CID 103586278

IUPACN-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)CCC2CCCCN2)cc1F
InChIInChI=1S/C14H20F2N2O2S/c1-10-8-13(16)14(9-12(10)15)18-21(19,20)7-5-11-4-2-3-6-17-11/h8-9,11,17-18H,2-7H2,1H3
InChIKeyGJRBUVWOFZTYNG-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.55
Rot. Bonds5

About N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide

N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 103586278) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID103586278
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1cc(F)c(NS(=O)(=O)CCC2CCCCN2)cc1F
InChIInChI=1S/C14H20F2N2O2S/c1-10-8-13(16)14(9-12(10)15)18-21(19,20)7-5-11-4-2-3-6-17-11/h8-9,11,17-18H,2-7H2,1H3
InChIKeyGJRBUVWOFZTYNG-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107626693
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972264
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 114388291
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide (CID 103586278) is N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide is Cc1cc(F)c(NS(=O)(=O)CCC2CCCCN2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is GJRBUVWOFZTYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10-8-13(16)14(9-12(10)15)18-21(19,20)7-5-11-4-2-3-6-17-11/h8-9,11,17-18H,2-7H2,1H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 103586278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).