4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide

C26H25N5O6S2 — CID 45352246

IUPAC4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(S(N)(=O)=O)cc5)CC4)cc3)o2)cc1
InChIInChI=1S/C26H25N5O6S2/c1-18-2-4-19(5-3-18)24-28-29-25(37-24)20-6-8-21(9-7-20)26(32)30-14-16-31(17-15-30)39(35,36)23-12-10-22(11-13-23)38(27,33)34/h2-13H,14-17H2,1H3,(H2,27,33,34)
InChIKeyZEVRTBXRXOVMKX-UHFFFAOYSA-N
MW567.65 g/mol
LogP2.51
Rot. Bonds6

About 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide

4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 45352246) has the molecular formula C26H25N5O6S2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
PubChem CID45352246
Molecular FormulaC26H25N5O6S2
Molecular Weight567.65 g/mol
Exact Mass567.12
IUPAC Name4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(S(N)(=O)=O)cc5)CC4)cc3)o2)cc1
InChIInChI=1S/C26H25N5O6S2/c1-18-2-4-19(5-3-18)24-28-29-25(37-24)20-6-8-21(9-7-20)26(32)30-14-16-31(17-15-30)39(35,36)23-12-10-22(11-13-23)38(27,33)34/h2-13H,14-17H2,1H3,(H2,27,33,34)
InChIKeyZEVRTBXRXOVMKX-UHFFFAOYSA-N
XLogP2.51
TPSA156.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide with MolForge

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Related Compounds

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396609
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 36723947
1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26809221
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17408822
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide (CID 45352246) is 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide is Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(S(N)(=O)=O)cc5)CC4)cc3)o2)cc1.
What is the InChIKey of 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is ZEVRTBXRXOVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O6S2/c1-18-2-4-19(5-3-18)24-28-29-25(37-24)20-6-8-21(9-7-20)26(32)30-14-16-31(17-15-30)39(35,36)23-12-10-22(11-13-23)38(27,33)34/h2-13H,14-17H2,1H3,(H2,27,33,34).
What are the key properties of 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide?
4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 567.65 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 45352246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).