2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H17ClF3N3O4S2 — CID 29352816

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O4S2/c18-14-5-6-16(29-14)30(26,27)24-9-7-23(8-10-24)11-15(25)22-12-1-3-13(4-2-12)28-17(19,20)21/h1-6H,7-11H2,(H,22,25)
InChIKeyGHSMZHXYHKMNDX-UHFFFAOYSA-N
MW483.92 g/mol
LogP3.25
Rot. Bonds6

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 29352816) has the molecular formula C17H17ClF3N3O4S2 and a molecular weight of 483.92 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID29352816
Molecular FormulaC17H17ClF3N3O4S2
Molecular Weight483.92 g/mol
Exact Mass483.03
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17ClF3N3O4S2/c18-14-5-6-16(29-14)30(26,27)24-9-7-23(8-10-24)11-15(25)22-12-1-3-13(4-2-12)28-17(19,20)21/h1-6H,7-11H2,(H,22,25)
InChIKeyGHSMZHXYHKMNDX-UHFFFAOYSA-N
XLogP3.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 29352816) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GHSMZHXYHKMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O4S2/c18-14-5-6-16(29-14)30(26,27)24-9-7-23(8-10-24)11-15(25)22-12-1-3-13(4-2-12)28-17(19,20)21/h1-6H,7-11H2,(H,22,25).
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 483.92 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 29352816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).