N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide

C20H27N3O2S — CID 119931204

IUPACN-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-23(15-17-10-12-21-13-11-17)16-18-6-5-7-19(14-18)22-26(24,25)20-8-3-2-4-9-20/h2-9,14,17,21-22H,10-13,15-16H2,1H3
InChIKeyACCALAJUYCEYJM-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.92
Rot. Bonds7

About N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide

N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 119931204) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID119931204
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-23(15-17-10-12-21-13-11-17)16-18-6-5-7-19(14-18)22-26(24,25)20-8-3-2-4-9-20/h2-9,14,17,21-22H,10-13,15-16H2,1H3
InChIKeyACCALAJUYCEYJM-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[[3-(benzenesulfonamido)phenyl]methyl]-N-methylprop-2-enamide
CID 154760114
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
CID 79707512
N-[4-chloro-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 67303116
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196

Frequently Asked Questions

What is the IUPAC name of N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide (CID 119931204) is N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide is CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)CC1CCNCC1.
What is the InChIKey of N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is ACCALAJUYCEYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-23(15-17-10-12-21-13-11-17)16-18-6-5-7-19(14-18)22-26(24,25)20-8-3-2-4-9-20/h2-9,14,17,21-22H,10-13,15-16H2,1H3.
What are the key properties of N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide?
N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 119931204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).