(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone

C16H13ClF2N2O2S — CID 110815113

IUPAC(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H13ClF2N2O2S/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)11-9-10(18)1-2-12(11)19/h1-4,9H,5-8H2
InChIKeyJKSIBTLQTINQHU-UHFFFAOYSA-N
MW370.81 g/mol
LogP3.28
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 110815113) has the molecular formula C16H13ClF2N2O2S and a molecular weight of 370.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
PubChem CID110815113
Molecular FormulaC16H13ClF2N2O2S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC Name(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H13ClF2N2O2S/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)11-9-10(18)1-2-12(11)19/h1-4,9H,5-8H2
InChIKeyJKSIBTLQTINQHU-UHFFFAOYSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 110815115
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 7921522
(2,5-difluorophenyl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 78802706
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone (CID 110815113) is (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is JKSIBTLQTINQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2S/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)11-9-10(18)1-2-12(11)19/h1-4,9H,5-8H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 370.81 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110815113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).