N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H22ClN3O2S — CID 106058650

IUPACN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H22ClN3O2S/c1-16-9-12-5-4-8-18(11-12)21(19,20)17-10-13-6-2-3-7-14(13)15/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3
InChIKeyAKCWSQQSOZYJJN-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.61
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106058650) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106058650
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H22ClN3O2S/c1-16-9-12-5-4-8-18(11-12)21(19,20)17-10-13-6-2-3-7-14(13)15/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3
InChIKeyAKCWSQQSOZYJJN-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087624
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106058650) is N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is AKCWSQQSOZYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-16-9-12-5-4-8-18(11-12)21(19,20)17-10-13-6-2-3-7-14(13)15/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106058650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).