3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide

C13H20FN3O2S — CID 106642160

IUPAC3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCN1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H20FN3O2S/c1-17(9-10-4-2-3-7-16-10)13-6-5-11(8-12(13)14)20(15,18)19/h5-6,8,10,16H,2-4,7,9H2,1H3,(H2,15,18,19)
InChIKeyAIDOWDARQLUJKZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.05
Rot. Bonds4

About 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide

3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 106642160) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
PubChem CID106642160
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(CC1CCCCN1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C13H20FN3O2S/c1-17(9-10-4-2-3-7-16-10)13-6-5-11(8-12(13)14)20(15,18)19/h5-6,8,10,16H,2-4,7,9H2,1H3,(H2,15,18,19)
InChIKeyAIDOWDARQLUJKZ-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide 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

3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
3-fluoro-4-[methyl-(4-oxocyclohexyl)amino]benzenesulfonamide
CID 79119967
4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
CID 106643519
2,5-difluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208207
3-fluoro-4-[piperidin-2-ylmethyl(propyl)amino]benzonitrile
CID 106642506
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide (CID 106642160) is 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide is CN(CC1CCCCN1)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is AIDOWDARQLUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-17(9-10-4-2-3-7-16-10)13-6-5-11(8-12(13)14)20(15,18)19/h5-6,8,10,16H,2-4,7,9H2,1H3,(H2,15,18,19).
What are the key properties of 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide?
3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 106642160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).