[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone

C21H25N3O4S — CID 70703458

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4S/c25-21(18-6-8-19(9-7-18)22-14-16-28-17-15-22)23-10-12-24(13-11-23)29(26,27)20-4-2-1-3-5-20/h1-9H,10-17H2
InChIKeyYFEKMLHIFOMZJM-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.67
Rot. Bonds4

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

[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 70703458) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID70703458
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4S/c25-21(18-6-8-19(9-7-18)22-14-16-28-17-15-22)23-10-12-24(13-11-23)29(26,27)20-4-2-1-3-5-20/h1-9H,10-17H2
InChIKeyYFEKMLHIFOMZJM-UHFFFAOYSA-N
XLogP1.67
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 126851675

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone (CID 70703458) is [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone is O=C(c1ccc(N2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is YFEKMLHIFOMZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-21(18-6-8-19(9-7-18)22-14-16-28-17-15-22)23-10-12-24(13-11-23)29(26,27)20-4-2-1-3-5-20/h1-9H,10-17H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 415.52 g/mol, XLogP of 1.67, 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-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 70703458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).