N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide

C18H21BrN2O2S — CID 40562452

IUPACN-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C18H21BrN2O2S/c19-17-8-4-5-9-18(17)24(22,23)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2
InChIKeyHBJSJSDSWMALQW-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.39
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide (PubChem CID 40562452) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
PubChem CID40562452
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Br
InChIInChI=1S/C18H21BrN2O2S/c19-17-8-4-5-9-18(17)24(22,23)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2
InChIKeyHBJSJSDSWMALQW-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzylpiperidin-4-yl)-2-bromo-6-chlorobenzenesulfonamide
CID 114269373
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide (CID 40562452) is N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Br.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide?
The InChIKey is HBJSJSDSWMALQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2S/c19-17-8-4-5-9-18(17)24(22,23)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide has a molecular weight of 409.35 g/mol, XLogP of 3.39, 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-bromobenzenesulfonamide is sourced from PubChem (CID 40562452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).