(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

C22H28N2O3S — CID 2674216

IUPAC(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-15-6-8-20(9-7-15)22(25)23-10-12-24(13-11-23)28(26,27)21-18(4)16(2)14-17(3)19(21)5/h6-9,14H,10-13H2,1-5H3
InChIKeyREJWQEMECQWTQZ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.38
Rot. Bonds3

About (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2674216) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2674216
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-15-6-8-20(9-7-15)22(25)23-10-12-24(13-11-23)28(26,27)21-18(4)16(2)14-17(3)19(21)5/h6-9,14H,10-13H2,1-5H3
InChIKeyREJWQEMECQWTQZ-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 7595013
(3,4-diethoxyphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674291
(2-chloro-4-pyridinyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 32695876
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
1-[5-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 46651338
[4-(dimethylamino)-3-nitrophenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26869217
[3-(difluoromethoxy)-4-methoxyphenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46482939
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2674216) is (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is REJWQEMECQWTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-15-6-8-20(9-7-15)22(25)23-10-12-24(13-11-23)28(26,27)21-18(4)16(2)14-17(3)19(21)5/h6-9,14H,10-13H2,1-5H3.
What are the key properties of (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 400.54 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2674216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).