[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

C27H30N4O4S — CID 24980129

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C27H30N4O4S/c32-26-12-5-4-11-25(26)29-13-15-30(16-14-29)27(33)22-7-6-10-24(21-22)36(34,35)31-19-17-28(18-20-31)23-8-2-1-3-9-23/h1-12,21,32H,13-20H2
InChIKeyOQJZUXSPHUNEOM-UHFFFAOYSA-N
MW506.63 g/mol
LogP2.87
Rot. Bonds5

About [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (PubChem CID 24980129) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
PubChem CID24980129
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C27H30N4O4S/c32-26-12-5-4-11-25(26)29-13-15-30(16-14-29)27(33)22-7-6-10-24(21-22)36(34,35)31-19-17-28(18-20-31)23-8-2-1-3-9-23/h1-12,21,32H,13-20H2
InChIKeyOQJZUXSPHUNEOM-UHFFFAOYSA-N
XLogP2.87
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
1-(2-Methoxyphenyl)-4-[4-(1-piperidinylsulfonyl)benzoyl]piperazine
CID 1297523
[4-(2-Ethoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4557524
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 24979676
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
CID 24980240
BMP activator B06
CID 24980360
4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 25102652
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
[3-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25163894
[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 2594952
N-benzyl-N-(2-methoxyphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 4885428

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone (CID 24980129) is [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
The InChIKey is OQJZUXSPHUNEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c32-26-12-5-4-11-25(26)29-13-15-30(16-14-29)27(33)22-7-6-10-24(21-22)36(34,35)31-19-17-28(18-20-31)23-8-2-1-3-9-23/h1-12,21,32H,13-20H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone has a molecular weight of 506.63 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 24980129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).