[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C15H17ClN4O3S2 — CID 30796082

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4O3S2/c1-2-12-14(24-18-17-12)15(21)19-7-9-20(10-8-19)25(22,23)13-6-4-3-5-11(13)16/h3-6H,2,7-10H2,1H3
InChIKeyQGOKHFPCYVCBLJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP1.90
Rot. Bonds4

About [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 30796082) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID30796082
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4O3S2/c1-2-12-14(24-18-17-12)15(21)19-7-9-20(10-8-19)25(22,23)13-6-4-3-5-11(13)16/h3-6H,2,7-10H2,1H3
InChIKeyQGOKHFPCYVCBLJ-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 9239713
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 9086285
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 9429456
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 27799663
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 55996687
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 30796082) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is QGOKHFPCYVCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c1-2-12-14(24-18-17-12)15(21)19-7-9-20(10-8-19)25(22,23)13-6-4-3-5-11(13)16/h3-6H,2,7-10H2,1H3.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 400.91 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 30796082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).