1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine

C13H18FNO4S2 — CID 43454697

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H18FNO4S2/c1-10-5-3-4-8-15(10)21(18,19)13-9-11(20(2,16)17)6-7-12(13)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyHVFSIJRWDIEGEQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine

1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine (PubChem CID 43454697) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
PubChem CID43454697
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H18FNO4S2/c1-10-5-3-4-8-15(10)21(18,19)13-9-11(20(2,16)17)6-7-12(13)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyHVFSIJRWDIEGEQ-UHFFFAOYSA-N
XLogP1.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine 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

1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 43455224
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine (CID 43454697) is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is HVFSIJRWDIEGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c1-10-5-3-4-8-15(10)21(18,19)13-9-11(20(2,16)17)6-7-12(13)14/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine?
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 335.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 43454697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).