[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C20H25N3O3S — CID 42905627

IUPAC[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-16(2)17-7-9-18(10-8-17)27(25,26)23-14-12-22(13-15-23)20(24)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3
InChIKeyMNOGLNDGQVTNSH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.74
Rot. Bonds5

About [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 42905627) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID42905627
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-3-16(2)17-7-9-18(10-8-17)27(25,26)23-14-12-22(13-15-23)20(24)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3
InChIKeyMNOGLNDGQVTNSH-UHFFFAOYSA-N
XLogP2.74
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51146569
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
N-(4-butan-2-ylphenyl)-4-(pyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143410
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26677296
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 146149234
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 43022485
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
N-(2-bromophenyl)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carboxamide
CID 17217976
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 42905627) is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MNOGLNDGQVTNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-16(2)17-7-9-18(10-8-17)27(25,26)23-14-12-22(13-15-23)20(24)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 387.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 42905627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).