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

C18H18ClF2N3O3S — CID 3245716

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyNIQGMXDBNSPTFE-UHFFFAOYSA-N
MW429.88 g/mol
LogP2.56
Rot. Bonds5

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 3245716) has the molecular formula C18H18ClF2N3O3S and a molecular weight of 429.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID3245716
Molecular FormulaC18H18ClF2N3O3S
Molecular Weight429.88 g/mol
Exact Mass429.07
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18ClF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25)
InChIKeyNIQGMXDBNSPTFE-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 3245716) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is NIQGMXDBNSPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O3S/c19-13-1-4-15(5-2-13)28(26,27)24-9-7-23(8-10-24)12-18(25)22-17-6-3-14(20)11-16(17)21/h1-6,11H,7-10,12H2,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 429.88 g/mol, XLogP of 2.56, 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-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 3245716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).