N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

C14H22ClN3O2S — CID 106087624

IUPACN-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)Nc2cc(C)ccc2Cl)C1
InChIInChI=1S/C14H22ClN3O2S/c1-11-5-6-13(15)14(8-11)17-21(19,20)18-7-3-4-12(10-18)9-16-2/h5-6,8,12,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyQLPMZJGEHNSFQG-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.24
Rot. Bonds5

About N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106087624) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106087624
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)Nc2cc(C)ccc2Cl)C1
InChIInChI=1S/C14H22ClN3O2S/c1-11-5-6-13(15)14(8-11)17-21(19,20)18-7-3-4-12(10-18)9-16-2/h5-6,8,12,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyQLPMZJGEHNSFQG-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
N-(3-bromo-2-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106088172
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
2-chloro-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119961304
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]piperidin-3-yl]-N-methylmethanamine
CID 119961026
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106087624) is N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)Nc2cc(C)ccc2Cl)C1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is QLPMZJGEHNSFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-11-5-6-13(15)14(8-11)17-21(19,20)18-7-3-4-12(10-18)9-16-2/h5-6,8,12,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).