N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide

C19H21BrN2O4S — CID 33162002

IUPACN-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(COc1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O4S/c20-15-6-8-17(9-7-15)26-14-19(23)22-12-10-16(11-13-22)21-27(24,25)18-4-2-1-3-5-18/h1-9,16,21H,10-14H2
InChIKeyYLVXFXPUVQZAEI-UHFFFAOYSA-N
MW453.36 g/mol
LogP2.80
Rot. Bonds6

About N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 33162002) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID33162002
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC NameN-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(COc1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O4S/c20-15-6-8-17(9-7-15)26-14-19(23)22-12-10-16(11-13-22)21-27(24,25)18-4-2-1-3-5-18/h1-9,16,21H,10-14H2
InChIKeyYLVXFXPUVQZAEI-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823527
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide (CID 33162002) is N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide is O=C(COc1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is YLVXFXPUVQZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c20-15-6-8-17(9-7-15)26-14-19(23)22-12-10-16(11-13-22)21-27(24,25)18-4-2-1-3-5-18/h1-9,16,21H,10-14H2.
What are the key properties of N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 453.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33162002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).