N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide

C25H26BrN3O3S — CID 24981898

IUPACN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C25H26BrN3O3S/c26-21-9-11-23(12-10-21)28-33(31,32)24-8-4-7-20(17-24)25(30)27-22-13-15-29(16-14-22)18-19-5-2-1-3-6-19/h1-12,17,22,28H,13-16,18H2,(H,27,30)
InChIKeyIBSYIUYMCJKTNI-UHFFFAOYSA-N
MW528.47 g/mol
LogP4.64
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide (PubChem CID 24981898) has the molecular formula C25H26BrN3O3S and a molecular weight of 528.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
PubChem CID24981898
Molecular FormulaC25H26BrN3O3S
Molecular Weight528.47 g/mol
Exact Mass527.09
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C25H26BrN3O3S/c26-21-9-11-23(12-10-21)28-33(31,32)24-8-4-7-20(17-24)25(30)27-22-13-15-29(16-14-22)18-19-5-2-1-3-6-19/h1-12,17,22,28H,13-16,18H2,(H,27,30)
InChIKeyIBSYIUYMCJKTNI-UHFFFAOYSA-N
XLogP4.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide (CID 24981898) is N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The InChIKey is IBSYIUYMCJKTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O3S/c26-21-9-11-23(12-10-21)28-33(31,32)24-8-4-7-20(17-24)25(30)27-22-13-15-29(16-14-22)18-19-5-2-1-3-6-19/h1-12,17,22,28H,13-16,18H2,(H,27,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide has a molecular weight of 528.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24981898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).