2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide

C18H18Cl2FN3O3S — CID 29351787

IUPAC2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18Cl2FN3O3S/c19-16-5-4-15(11-17(16)20)28(26,27)24-8-6-23(7-9-24)12-18(25)22-14-3-1-2-13(21)10-14/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyXNSJRMOQHJHEAO-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 29351787) has the molecular formula C18H18Cl2FN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID29351787
Molecular FormulaC18H18Cl2FN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.04
IUPAC Name2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18Cl2FN3O3S/c19-16-5-4-15(11-17(16)20)28(26,27)24-8-6-23(7-9-24)12-18(25)22-14-3-1-2-13(21)10-14/h1-5,10-11H,6-9,12H2,(H,22,25)
InChIKeyXNSJRMOQHJHEAO-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351809
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 5093122
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 55354672
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3239778
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
N-(4-chloro-3-nitrophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185867
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 29351787) is 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is XNSJRMOQHJHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O3S/c19-16-5-4-15(11-17(16)20)28(26,27)24-8-6-23(7-9-24)12-18(25)22-14-3-1-2-13(21)10-14/h1-5,10-11H,6-9,12H2,(H,22,25).
What are the key properties of 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 446.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 29351787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).