(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C23H24N2O3S — CID 7535266

IUPAC(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C23H24N2O3S/c1-17-7-10-22(18(2)15-17)23(26)24-11-13-25(14-12-24)29(27,28)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyVKWZYADQZRYYCR-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.60
Rot. Bonds3

About (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 7535266) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID7535266
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1
InChIInChI=1S/C23H24N2O3S/c1-17-7-10-22(18(2)15-17)23(26)24-11-13-25(14-12-24)29(27,28)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyVKWZYADQZRYYCR-UHFFFAOYSA-N
XLogP3.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-methylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 33240685
4-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27329948
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-(2,3,4,5-tetrafluorophenyl)methanone
CID 2127586
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
(1,5-dimethylpyrazol-3-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 60527755
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 7535266) is (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VKWZYADQZRYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-7-10-22(18(2)15-17)23(26)24-11-13-25(14-12-24)29(27,28)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 408.52 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 7535266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).