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

C19H21ClFN3O3S — CID 27184982

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O3S/c20-16-6-2-1-5-15(16)13-22-19(25)14-23-9-11-24(12-10-23)28(26,27)18-8-4-3-7-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyMNKXOODIISDOQJ-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.10
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 27184982) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID27184982
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClFN3O3S/c20-16-6-2-1-5-15(16)13-22-19(25)14-23-9-11-24(12-10-23)28(26,27)18-8-4-3-7-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyMNKXOODIISDOQJ-UHFFFAOYSA-N
XLogP2.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.10
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-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 27184982) is N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is MNKXOODIISDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-16-6-2-1-5-15(16)13-22-19(25)14-23-9-11-24(12-10-23)28(26,27)18-8-4-3-7-17(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 425.91 g/mol, XLogP of 2.10, 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-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 27184982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).