[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

C26H23ClN4O3S2 — CID 22628235

IUPAC[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H23ClN4O3S2/c1-18-24(35-25(29-18)21-10-12-28-13-11-21)26(32)30-14-16-31(17-15-30)36(33,34)23-8-4-20(5-9-23)19-2-6-22(27)7-3-19/h2-13H,14-17H2,1H3
InChIKeyWLWRJVYDBYVJPF-UHFFFAOYSA-N
MW539.08 g/mol
LogP4.98
Rot. Bonds5

About [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 22628235) has the molecular formula C26H23ClN4O3S2 and a molecular weight of 539.08 g/mol. Its IUPAC name is [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID22628235
Molecular FormulaC26H23ClN4O3S2
Molecular Weight539.08 g/mol
Exact Mass538.09
IUPAC Name[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H23ClN4O3S2/c1-18-24(35-25(29-18)21-10-12-28-13-11-21)26(32)30-14-16-31(17-15-30)36(33,34)23-8-4-20(5-9-23)19-2-6-22(27)7-3-19/h2-13H,14-17H2,1H3
InChIKeyWLWRJVYDBYVJPF-UHFFFAOYSA-N
XLogP4.98
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.08
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 22628161
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22627981
[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628244
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 17491465
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 16562907
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55902672
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 27768789

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (CID 22628235) is [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is WLWRJVYDBYVJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3S2/c1-18-24(35-25(29-18)21-10-12-28-13-11-21)26(32)30-14-16-31(17-15-30)36(33,34)23-8-4-20(5-9-23)19-2-6-22(27)7-3-19/h2-13H,14-17H2,1H3.
What are the key properties of [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 539.08 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 22628235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).