[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone

C24H24N2O3S — CID 1147933

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24N2O3S/c1-19-7-13-23(14-8-19)30(28,29)26-17-15-25(16-18-26)24(27)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3
InChIKeyBGYYMYQDOXWVSZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.81
Rot. Bonds4

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 1147933) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID1147933
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24N2O3S/c1-19-7-13-23(14-8-19)30(28,29)26-17-15-25(16-18-26)24(27)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3
InChIKeyBGYYMYQDOXWVSZ-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenoxyphenyl)methanone
CID 17491479
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 45352246
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone (CID 1147933) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is BGYYMYQDOXWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-19-7-13-23(14-8-19)30(28,29)26-17-15-25(16-18-26)24(27)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-14H,15-18H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 420.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 1147933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).