4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

C13H18BrClN2O2S — CID 106630528

IUPAC4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyTYOBZFOKIPBQOR-UHFFFAOYSA-N
MW381.72 g/mol
LogP2.87
Rot. Bonds4

About 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide

4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106630528) has the molecular formula C13H18BrClN2O2S and a molecular weight of 381.72 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID106630528
Molecular FormulaC13H18BrClN2O2S
Molecular Weight381.72 g/mol
Exact Mass380.00
IUPAC Name4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyTYOBZFOKIPBQOR-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
2-chloro-N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607127
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468
4-bromo-2-chloro-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650717
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 106630528) is 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCN1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is TYOBZFOKIPBQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2S/c1-17(9-11-4-2-3-7-16-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide?
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 381.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).