N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide

C18H20BrClN2O2S — CID 114269373

IUPACN-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Br
InChIInChI=1S/C18H20BrClN2O2S/c19-16-7-4-8-17(20)18(16)25(23,24)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2
InChIKeyDQHXGRYDESPENB-UHFFFAOYSA-N
MW443.79 g/mol
LogP4.05
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide (PubChem CID 114269373) has the molecular formula C18H20BrClN2O2S and a molecular weight of 443.79 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
PubChem CID114269373
Molecular FormulaC18H20BrClN2O2S
Molecular Weight443.79 g/mol
Exact Mass442.01
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Br
InChIInChI=1S/C18H20BrClN2O2S/c19-16-7-4-8-17(20)18(16)25(23,24)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2
InChIKeyDQHXGRYDESPENB-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide (CID 114269373) is N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Br.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide?
The InChIKey is DQHXGRYDESPENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O2S/c19-16-7-4-8-17(20)18(16)25(23,24)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide has a molecular weight of 443.79 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide is sourced from PubChem (CID 114269373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).