2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide

C20H21ClFN3O4S2 — CID 24536783

IUPAC2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H21ClFN3O4S2/c21-15-5-7-16(8-6-15)31(28,29)25-11-9-24(10-12-25)20(27)14-30-13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyXCHKBKPRSOVIPM-UHFFFAOYSA-N
MW485.99 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide

2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 24536783) has the molecular formula C20H21ClFN3O4S2 and a molecular weight of 485.99 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID24536783
Molecular FormulaC20H21ClFN3O4S2
Molecular Weight485.99 g/mol
Exact Mass485.06
IUPAC Name2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H21ClFN3O4S2/c21-15-5-7-16(8-6-15)31(28,29)25-11-9-24(10-12-25)20(27)14-30-13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26)
InChIKeyXCHKBKPRSOVIPM-UHFFFAOYSA-N
XLogP2.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 2706297
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluorophenyl)propanamide
CID 2524818
N-(4-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 51048648
N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8745175
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 46797516
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
4-(benzenesulfonyl)-N-(4-chloro-2-fluorophenyl)piperazine-1-carboxamide
CID 17249913
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)sulfanylethanone
CID 26870827
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 4213467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 24536783) is 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is XCHKBKPRSOVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O4S2/c21-15-5-7-16(8-6-15)31(28,29)25-11-9-24(10-12-25)20(27)14-30-13-19(26)23-18-4-2-1-3-17(18)22/h1-8H,9-14H2,(H,23,26).
What are the key properties of 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 485.99 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 24536783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).