2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C18H17ClF3N3O3S — CID 5215915

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17ClF3N3O3S/c19-12-1-3-13(4-2-12)29(27,28)25-9-7-24(8-10-25)11-16(26)23-15-6-5-14(20)17(21)18(15)22/h1-6H,7-11H2,(H,23,26)
InChIKeyKTKHURFUGBHABG-UHFFFAOYSA-N
MW447.87 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 5215915) has the molecular formula C18H17ClF3N3O3S and a molecular weight of 447.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID5215915
Molecular FormulaC18H17ClF3N3O3S
Molecular Weight447.87 g/mol
Exact Mass447.06
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17ClF3N3O3S/c19-12-1-3-13(4-2-12)29(27,28)25-9-7-24(8-10-25)11-16(26)23-15-6-5-14(20)17(21)18(15)22/h1-6H,7-11H2,(H,23,26)
InChIKeyKTKHURFUGBHABG-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655662
methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808735

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 5215915) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KTKHURFUGBHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3S/c19-12-1-3-13(4-2-12)29(27,28)25-9-7-24(8-10-25)11-16(26)23-15-6-5-14(20)17(21)18(15)22/h1-6H,7-11H2,(H,23,26).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 447.87 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 5215915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).