[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone

C15H17ClN2O3S3 — CID 2971243

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1
InChIInChI=1S/C15H17ClN2O3S3/c1-2-11-3-4-12(22-11)15(19)17-7-9-18(10-8-17)24(20,21)14-6-5-13(16)23-14/h3-6H,2,7-10H2,1H3
InChIKeyIAOQMMGVANPMBA-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.17
Rot. Bonds4

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone (PubChem CID 2971243) has the molecular formula C15H17ClN2O3S3 and a molecular weight of 404.97 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
PubChem CID2971243
Molecular FormulaC15H17ClN2O3S3
Molecular Weight404.97 g/mol
Exact Mass404.01
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1
InChIInChI=1S/C15H17ClN2O3S3/c1-2-11-3-4-12(22-11)15(19)17-7-9-18(10-8-17)24(20,21)14-6-5-13(16)23-14/h3-6H,2,7-10H2,1H3
InChIKeyIAOQMMGVANPMBA-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805258
(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804822
[4-(aminomethyl)phenyl]-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 119268885
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
(2-chloro-5-methylsulfanylphenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 27768652
6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 27768794
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 7921522
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone (CID 2971243) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone?
The InChIKey is IAOQMMGVANPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S3/c1-2-11-3-4-12(22-11)15(19)17-7-9-18(10-8-17)24(20,21)14-6-5-13(16)23-14/h3-6H,2,7-10H2,1H3.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone has a molecular weight of 404.97 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 2971243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).