N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

C16H23ClN2O2S — CID 163346546

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(Cc2cccc(Cl)c2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H23ClN2O2S/c1-18(22(20,21)16-7-8-16)15-6-3-9-19(12-15)11-13-4-2-5-14(17)10-13/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3
InChIKeyGAFWGDUFNOEYRL-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.73
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide

N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346546) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346546
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCN(C1CCCN(Cc2cccc(Cl)c2)C1)S(=O)(=O)C1CC1
InChIInChI=1S/C16H23ClN2O2S/c1-18(22(20,21)16-7-8-16)15-6-3-9-19(12-15)11-13-4-2-5-14(17)10-13/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3
InChIKeyGAFWGDUFNOEYRL-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346469
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346351
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
1-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83980928
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
N-[[1-[(3-chlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582064
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 163346546) is N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is CN(C1CCCN(Cc2cccc(Cl)c2)C1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is GAFWGDUFNOEYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-18(22(20,21)16-7-8-16)15-6-3-9-19(12-15)11-13-4-2-5-14(17)10-13/h2,4-5,10,15-16H,3,6-9,11-12H2,1H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 342.89 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).