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

C19H20ClF2N3O3S — CID 27182417

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H20ClF2N3O3S/c20-16-4-2-1-3-14(16)12-23-19(26)13-24-7-9-25(10-8-24)29(27,28)15-5-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26)
InChIKeyJIKRPPLHCXFMCX-UHFFFAOYSA-N
MW443.90 g/mol
LogP2.24
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 27182417) has the molecular formula C19H20ClF2N3O3S and a molecular weight of 443.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID27182417
Molecular FormulaC19H20ClF2N3O3S
Molecular Weight443.90 g/mol
Exact Mass443.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H20ClF2N3O3S/c20-16-4-2-1-3-14(16)12-23-19(26)13-24-7-9-25(10-8-24)29(27,28)15-5-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26)
InChIKeyJIKRPPLHCXFMCX-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 27182417) is N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JIKRPPLHCXFMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O3S/c20-16-4-2-1-3-14(16)12-23-19(26)13-24-7-9-25(10-8-24)29(27,28)15-5-6-17(21)18(22)11-15/h1-6,11H,7-10,12-13H2,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 443.90 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 27182417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).