[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C16H14ClF3N2O3S2 — CID 2971410

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H14ClF3N2O3S2/c17-13-4-5-14(26-13)27(24,25)22-8-6-21(7-9-22)15(23)11-2-1-3-12(10-11)16(18,19)20/h1-5,10H,6-9H2
InChIKeyFNBGJIUQKAXVJY-UHFFFAOYSA-N
MW438.88 g/mol
LogP3.57
Rot. Bonds3

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 2971410) has the molecular formula C16H14ClF3N2O3S2 and a molecular weight of 438.88 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID2971410
Molecular FormulaC16H14ClF3N2O3S2
Molecular Weight438.88 g/mol
Exact Mass438.01
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H14ClF3N2O3S2/c17-13-4-5-14(26-13)27(24,25)22-8-6-21(7-9-22)15(23)11-2-1-3-12(10-11)16(18,19)20/h1-5,10H,6-9H2
InChIKeyFNBGJIUQKAXVJY-UHFFFAOYSA-N
XLogP3.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 2971410) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is FNBGJIUQKAXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3S2/c17-13-4-5-14(26-13)27(24,25)22-8-6-21(7-9-22)15(23)11-2-1-3-12(10-11)16(18,19)20/h1-5,10H,6-9H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 438.88 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 2971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).