2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C24H26N4O3S — CID 42848524

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-24(26-18-19-7-6-14-25-17-19)22-10-4-5-11-23(22)28-15-12-20(13-16-28)27-32(30,31)21-8-2-1-3-9-21/h1-11,14,17,20,27H,12-13,15-16,18H2,(H,26,29)
InChIKeyRGBLXVMNQOFXRM-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42848524) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42848524
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-24(26-18-19-7-6-14-25-17-19)22-10-4-5-11-23(22)28-15-12-20(13-16-28)27-32(30,31)21-8-2-1-3-9-21/h1-11,14,17,20,27H,12-13,15-16,18H2,(H,26,29)
InChIKeyRGBLXVMNQOFXRM-UHFFFAOYSA-N
XLogP2.96
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46038683
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46038691
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
3-[4-(cyclopentylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110355634
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 42848524) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RGBLXVMNQOFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(26-18-19-7-6-14-25-17-19)22-10-4-5-11-23(22)28-15-12-20(13-16-28)27-32(30,31)21-8-2-1-3-9-21/h1-11,14,17,20,27H,12-13,15-16,18H2,(H,26,29).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42848524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).