N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide

C20H23BrN2O4S — CID 50823527

IUPACN-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-27-17-6-8-18(9-7-17)28(25,26)22-16-10-12-23(13-11-16)20(24)14-15-4-2-3-5-19(15)21/h2-9,16,22H,10-14H2,1H3
InChIKeyVZZNJTWXOZGADT-UHFFFAOYSA-N
MW467.39 g/mol
LogP2.97
Rot. Bonds6

About N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide

N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 50823527) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID50823527
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC NameN-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3ccccc3Br)CC2)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-27-17-6-8-18(9-7-17)28(25,26)22-16-10-12-23(13-11-16)20(24)14-15-4-2-3-5-19(15)21/h2-9,16,22H,10-14H2,1H3
InChIKeyVZZNJTWXOZGADT-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide (CID 50823527) is N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C(=O)Cc3ccccc3Br)CC2)cc1.
What is the InChIKey of N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is VZZNJTWXOZGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-27-17-6-8-18(9-7-17)28(25,26)22-16-10-12-23(13-11-16)20(24)14-15-4-2-3-5-19(15)21/h2-9,16,22H,10-14H2,1H3.
What are the key properties of N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide?
N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 467.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 50823527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).