(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H14ClFN2O3S2 — CID 9086144

IUPAC(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-4-13(17)12(10-11)15(20)18-5-7-19(8-6-18)24(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyQZHCTSLMLCJEDK-UHFFFAOYSA-N
MW388.87 g/mol
LogP2.69
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 9086144) has the molecular formula C15H14ClFN2O3S2 and a molecular weight of 388.87 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID9086144
Molecular FormulaC15H14ClFN2O3S2
Molecular Weight388.87 g/mol
Exact Mass388.01
IUPAC Name(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-4-13(17)12(10-11)15(20)18-5-7-19(8-6-18)24(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2
InChIKeyQZHCTSLMLCJEDK-UHFFFAOYSA-N
XLogP2.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4801929
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496437
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 46478996
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 9086144) is (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is QZHCTSLMLCJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S2/c16-11-3-4-13(17)12(10-11)15(20)18-5-7-19(8-6-18)24(21,22)14-2-1-9-23-14/h1-4,9-10H,5-8H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 388.87 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 9086144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).