2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C17H19ClFN3O3S2 — CID 31378865

IUPAC2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19ClFN3O3S2/c18-15-5-6-17(26-15)27(24,25)22-9-7-21(8-10-22)12-16(23)20-11-13-1-3-14(19)4-2-13/h1-6H,7-12H2,(H,20,23)
InChIKeyWVHZMJHYOCGRRD-UHFFFAOYSA-N
MW431.94 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 31378865) has the molecular formula C17H19ClFN3O3S2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID31378865
Molecular FormulaC17H19ClFN3O3S2
Molecular Weight431.94 g/mol
Exact Mass431.05
IUPAC Name2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19ClFN3O3S2/c18-15-5-6-17(26-15)27(24,25)22-9-7-21(8-10-22)12-16(23)20-11-13-1-3-14(19)4-2-13/h1-6H,7-12H2,(H,20,23)
InChIKeyWVHZMJHYOCGRRD-UHFFFAOYSA-N
XLogP2.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 31378865) is 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WVHZMJHYOCGRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3S2/c18-15-5-6-17(26-15)27(24,25)22-9-7-21(8-10-22)12-16(23)20-11-13-1-3-14(19)4-2-13/h1-6H,7-12H2,(H,20,23).
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 431.94 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 31378865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).