N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

C14H21FN2O6S2 — CID 35331804

IUPACN-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C14H21FN2O6S2/c1-22-12-8-11(15)14(9-13(12)23-2)25(20,21)17-6-4-10(5-7-17)16-24(3,18)19/h8-10,16H,4-7H2,1-3H3
InChIKeyCFPLXLYETJGGCF-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.55
Rot. Bonds6

About N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide

N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (PubChem CID 35331804) has the molecular formula C14H21FN2O6S2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
PubChem CID35331804
Molecular FormulaC14H21FN2O6S2
Molecular Weight396.46 g/mol
Exact Mass396.08
IUPAC NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C14H21FN2O6S2/c1-22-12-8-11(15)14(9-13(12)23-2)25(20,21)17-6-4-10(5-7-17)16-24(3,18)19/h8-10,16H,4-7H2,1-3H3
InChIKeyCFPLXLYETJGGCF-UHFFFAOYSA-N
XLogP0.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide (CID 35331804) is N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is COc1cc(F)c(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1OC.
What is the InChIKey of N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
The InChIKey is CFPLXLYETJGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O6S2/c1-22-12-8-11(15)14(9-13(12)23-2)25(20,21)17-6-4-10(5-7-17)16-24(3,18)19/h8-10,16H,4-7H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide?
N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 35331804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).