(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H14ClFN2O3S2 — CID 4801929

IUPAC(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-1-4-12(17)14(11)15(20)18-6-8-19(9-7-18)24(21,22)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyWOQUFURMFLBTCW-UHFFFAOYSA-N
MW388.87 g/mol
LogP2.69
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 4801929) has the molecular formula C15H14ClFN2O3S2 and a molecular weight of 388.87 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID4801929
Molecular FormulaC15H14ClFN2O3S2
Molecular Weight388.87 g/mol
Exact Mass388.01
IUPAC Name(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H14ClFN2O3S2/c16-11-3-1-4-12(17)14(11)15(20)18-6-8-19(9-7-18)24(21,22)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyWOQUFURMFLBTCW-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

(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(2-chloro-6-fluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38167847
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
(2-chloro-6-fluorophenyl)-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632691
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 4801929) is (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is WOQUFURMFLBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S2/c16-11-3-1-4-12(17)14(11)15(20)18-6-8-19(9-7-18)24(21,22)13-5-2-10-23-13/h1-5,10H,6-9H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-chloro-6-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 (2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 4801929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).