2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

C15H21FN2O6S2 — CID 90592837

IUPAC2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C15H21FN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyNFEZUXLFBUDYPS-UHFFFAOYSA-N
MW408.47 g/mol
LogP0.15
Rot. Bonds6

About 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592837) has the molecular formula C15H21FN2O6S2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592837
Molecular FormulaC15H21FN2O6S2
Molecular Weight408.47 g/mol
Exact Mass408.08
IUPAC Name2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C15H21FN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyNFEZUXLFBUDYPS-UHFFFAOYSA-N
XLogP0.15
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
methyl 3-[4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 71809152
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17018169
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592837) is 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1.
What is the InChIKey of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is NFEZUXLFBUDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 408.47 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).