N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

C27H31N3O3S — CID 2326996

IUPACN-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1
InChIInChI=1S/C27H31N3O3S/c1-20-11-12-26(21(2)17-20)29-34(32,33)25-10-6-9-23(18-25)27(31)28-24-13-15-30(16-14-24)19-22-7-4-3-5-8-22/h3-12,17-18,24,29H,13-16,19H2,1-2H3,(H,28,31)
InChIKeyYNBSSBNRDINQBO-UHFFFAOYSA-N
MW477.63 g/mol
LogP4.50
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 2326996) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID2326996
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1
InChIInChI=1S/C27H31N3O3S/c1-20-11-12-26(21(2)17-20)29-34(32,33)25-10-6-9-23(18-25)27(31)28-24-13-15-30(16-14-24)19-22-7-4-3-5-8-22/h3-12,17-18,24,29H,13-16,19H2,1-2H3,(H,28,31)
InChIKeyYNBSSBNRDINQBO-UHFFFAOYSA-N
XLogP4.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 54.50
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-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 2326996) is N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)c(C)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is YNBSSBNRDINQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-20-11-12-26(21(2)17-20)29-34(32,33)25-10-6-9-23(18-25)27(31)28-24-13-15-30(16-14-24)19-22-7-4-3-5-8-22/h3-12,17-18,24,29H,13-16,19H2,1-2H3,(H,28,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 477.63 g/mol, XLogP of 4.50, 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-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2326996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).