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

C15H14ClFN2O3S2 — CID 7921522

IUPAC(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-14-6-5-13(23-14)15(20)18-7-9-19(10-8-18)24(21,22)12-3-1-11(17)2-4-12/h1-6H,7-10H2
InChIKeyOSZSDMZTVNQOFC-UHFFFAOYSA-N
MW388.87 g/mol
LogP2.69
Rot. Bonds3

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

(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 7921522) has the molecular formula C15H14ClFN2O3S2 and a molecular weight of 388.87 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID7921522
Molecular FormulaC15H14ClFN2O3S2
Molecular Weight388.87 g/mol
Exact Mass388.01
IUPAC Name(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-14-6-5-13(23-14)15(20)18-7-9-19(10-8-18)24(21,22)12-3-1-11(17)2-4-12/h1-6H,7-10H2
InChIKeyOSZSDMZTVNQOFC-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-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 110815115
(5-chlorothiophen-2-yl)-[4-(2,5-difluorobenzoyl)piperazin-1-yl]methanone
CID 110815113
(5-chlorothiophen-2-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4808834
(5-chlorothiophen-2-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804822
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(3,6-dichloro-2-pyridinyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 35605837
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 8924804
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828067
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
[4-(benzenesulfonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 7535276
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 2971243

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 7921522) is (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is OSZSDMZTVNQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S2/c16-14-6-5-13(23-14)15(20)18-7-9-19(10-8-18)24(21,22)12-3-1-11(17)2-4-12/h1-6H,7-10H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-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-chlorothiophen-2-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 7921522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).