[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

C18H20N2O5S2 — CID 9495959

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-26(22,23)16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)27(24,25)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyLQLWIXIVOZFBHQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.24
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 9495959) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID9495959
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-26(22,23)16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)27(24,25)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyLQLWIXIVOZFBHQ-UHFFFAOYSA-N
XLogP1.24
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 9495959) is [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is LQLWIXIVOZFBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-26(22,23)16-9-7-15(8-10-16)18(21)19-11-13-20(14-12-19)27(24,25)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 408.50 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 9495959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).