2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide

C24H25ClN4O3S — CID 46038683

IUPAC2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O3S/c25-19-5-7-21(8-6-19)33(31,32)28-20-11-15-29(16-12-20)23-4-2-1-3-22(23)24(30)27-17-18-9-13-26-14-10-18/h1-10,13-14,20,28H,11-12,15-17H2,(H,27,30)
InChIKeyWVLDWUQVHRGDBH-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide

2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 46038683) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID46038683
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25ClN4O3S/c25-19-5-7-21(8-6-19)33(31,32)28-20-11-15-29(16-12-20)23-4-2-1-3-22(23)24(30)27-17-18-9-13-26-14-10-18/h1-10,13-14,20,28H,11-12,15-17H2,(H,27,30)
InChIKeyWVLDWUQVHRGDBH-UHFFFAOYSA-N
XLogP3.61
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46038691
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-4-ylmethyl)carbamate
CID 10161533
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide (CID 46038683) is 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is WVLDWUQVHRGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c25-19-5-7-21(8-6-19)33(31,32)28-20-11-15-29(16-12-20)23-4-2-1-3-22(23)24(30)27-17-18-9-13-26-14-10-18/h1-10,13-14,20,28H,11-12,15-17H2,(H,27,30).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 485.01 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 46038683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).