2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C16H16ClFN2O3S2 — CID 42100203

IUPAC2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-14-5-6-16(24-14)25(22,23)11-15(21)20-9-7-19(8-10-20)13-3-1-12(18)2-4-13/h1-6H,7-11H2
InChIKeyCBPCNWXVJBXNSB-UHFFFAOYSA-N
MW402.90 g/mol
LogP2.66
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 42100203) has the molecular formula C16H16ClFN2O3S2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID42100203
Molecular FormulaC16H16ClFN2O3S2
Molecular Weight402.90 g/mol
Exact Mass402.03
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16ClFN2O3S2/c17-14-5-6-16(24-14)25(22,23)11-15(21)20-9-7-19(8-10-20)13-3-1-12(18)2-4-13/h1-6H,7-11H2
InChIKeyCBPCNWXVJBXNSB-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 42100203) is 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(CS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is CBPCNWXVJBXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S2/c17-14-5-6-16(24-14)25(22,23)11-15(21)20-9-7-19(8-10-20)13-3-1-12(18)2-4-13/h1-6H,7-11H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 402.90 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 42100203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).