6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide

C18H20ClN3O3S — CID 133298305

IUPAC6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C18H20ClN3O3S/c1-20-26(24,25)16-6-7-17(21-12-16)22-10-8-14(9-11-22)18(23)13-2-4-15(19)5-3-13/h2-7,12,14,20H,8-11H2,1H3
InChIKeyGTFPVVKBMXLVMY-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.74
Rot. Bonds5

About 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide

6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133298305) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133298305
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C18H20ClN3O3S/c1-20-26(24,25)16-6-7-17(21-12-16)22-10-8-14(9-11-22)18(23)13-2-4-15(19)5-3-13/h2-7,12,14,20H,8-11H2,1H3
InChIKeyGTFPVVKBMXLVMY-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331662
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone
CID 26044255
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide (CID 133298305) is 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is GTFPVVKBMXLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-20-26(24,25)16-6-7-17(21-12-16)22-10-8-14(9-11-22)18(23)13-2-4-15(19)5-3-13/h2-7,12,14,20H,8-11H2,1H3.
What are the key properties of 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide?
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 393.90 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133298305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).