N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H22ClN3O2S — CID 106023332

IUPACN-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H22ClN3O2S/c1-16-9-13-3-2-8-18(11-13)21(19,20)17-10-12-4-6-14(15)7-5-12/h4-7,13,16-17H,2-3,8-11H2,1H3
InChIKeyVYZKPKOFURQYRI-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.61
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide

N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106023332) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106023332
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H22ClN3O2S/c1-16-9-13-3-2-8-18(11-13)21(19,20)17-10-12-4-6-14(15)7-5-12/h4-7,13,16-17H,2-3,8-11H2,1H3
InChIKeyVYZKPKOFURQYRI-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-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 61204756
N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
3-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106055017
3-(methylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106093569
3-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106065622
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 119961026
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106023332) is N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is VYZKPKOFURQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-16-9-13-3-2-8-18(11-13)21(19,20)17-10-12-4-6-14(15)7-5-12/h4-7,13,16-17H,2-3,8-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-[(4-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-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).