[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C18H21N3O3S — CID 2496288

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C18H21N3O3S/c1-14-6-7-17(15(2)13-14)25(23,24)21-11-9-20(10-12-21)18(22)16-5-3-4-8-19-16/h3-8,13H,9-12H2,1-2H3
InChIKeyIQRCFBQKQZTPER-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.85
Rot. Bonds3

About [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 2496288) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID2496288
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C18H21N3O3S/c1-14-6-7-17(15(2)13-14)25(23,24)21-11-9-20(10-12-21)18(22)16-5-3-4-8-19-16/h3-8,13H,9-12H2,1-2H3
InChIKeyIQRCFBQKQZTPER-UHFFFAOYSA-N
XLogP1.85
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piberaline
CID 65975
Cnv-2197944
CID 44595848
Piperazine moiety, 6
CID 57339813
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
Ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2107828
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 4883220
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 4807360
1-[3,5-Bis(trifluoromethyl)benzenesulfonyl]-4-(pyridine-4-carbonyl)piperazine
CID 24979152

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 2496288) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is IQRCFBQKQZTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-6-7-17(15(2)13-14)25(23,24)21-11-9-20(10-12-21)18(22)16-5-3-4-8-19-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 359.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 2496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).