4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide

C12H17Cl2N3O2S — CID 106037007

IUPAC4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c13-10-1-2-11(14)12(7-10)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2
InChIKeyZRUHANJJRJMZBR-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.32
Rot. Bonds4

About 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide (PubChem CID 106037007) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
PubChem CID106037007
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c13-10-1-2-11(14)12(7-10)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2
InChIKeyZRUHANJJRJMZBR-UHFFFAOYSA-N
XLogP2.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023610
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694
3-(aminomethyl)-N-(2-chloro-4-fluorophenyl)piperidine-1-sulfonamide
CID 106028995

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide (CID 106037007) is 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide?
The InChIKey is ZRUHANJJRJMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c13-10-1-2-11(14)12(7-10)16-20(18,19)17-5-3-9(8-15)4-6-17/h1-2,7,9,16H,3-6,8,15H2.
What are the key properties of 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106037007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).