[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone

C18H20Cl2N4O3S — CID 55686438

IUPAC[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O3S/c1-22(2)17-13(5-4-8-21-17)18(25)23-9-11-24(12-10-23)28(26,27)16-14(19)6-3-7-15(16)20/h3-8H,9-12H2,1-2H3
InChIKeyCDIQKUOKOYIKGD-UHFFFAOYSA-N
MW443.36 g/mol
LogP2.60
Rot. Bonds4

About [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone

[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone (PubChem CID 55686438) has the molecular formula C18H20Cl2N4O3S and a molecular weight of 443.36 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
PubChem CID55686438
Molecular FormulaC18H20Cl2N4O3S
Molecular Weight443.36 g/mol
Exact Mass442.06
IUPAC Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N4O3S/c1-22(2)17-13(5-4-8-21-17)18(25)23-9-11-24(12-10-23)28(26,27)16-14(19)6-3-7-15(16)20/h3-8H,9-12H2,1-2H3
InChIKeyCDIQKUOKOYIKGD-UHFFFAOYSA-N
XLogP2.60
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 167971537
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone
CID 27757654
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 60551277
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone (CID 55686438) is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone is CN(C)c1ncccc1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone?
The InChIKey is CDIQKUOKOYIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3S/c1-22(2)17-13(5-4-8-21-17)18(25)23-9-11-24(12-10-23)28(26,27)16-14(19)6-3-7-15(16)20/h3-8H,9-12H2,1-2H3.
What are the key properties of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone?
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone has a molecular weight of 443.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 55686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).