N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C13H19BrClN3O2S — CID 106030566

IUPACN-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN3O2S/c1-16-9-11-4-2-3-7-18(11)21(19,20)17-13-6-5-10(14)8-12(13)15/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyXCTWCVGOMNDZMS-UHFFFAOYSA-N
MW396.74 g/mol
LogP2.83
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106030566) has the molecular formula C13H19BrClN3O2S and a molecular weight of 396.74 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106030566
Molecular FormulaC13H19BrClN3O2S
Molecular Weight396.74 g/mol
Exact Mass395.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN3O2S/c1-16-9-11-4-2-3-7-18(11)21(19,20)17-13-6-5-10(14)8-12(13)15/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyXCTWCVGOMNDZMS-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
N-(3-bromo-4-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070944
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
1-[(2R)-1-(5-bromo-2-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124687563
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
CID 43096857
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106030566) is N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is XCTWCVGOMNDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3O2S/c1-16-9-11-4-2-3-7-18(11)21(19,20)17-13-6-5-10(14)8-12(13)15/h5-6,8,11,16-17H,2-4,7,9H2,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 396.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106030566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).