N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide

C19H21ClFN3O3S — CID 16801490

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H21ClFN3O3S/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)28(26,27)13-8-22-19(25)17-6-1-2-7-18(17)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyMYIFIBOBGOVKJC-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide (PubChem CID 16801490) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide
PubChem CID16801490
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H21ClFN3O3S/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)28(26,27)13-8-22-19(25)17-6-1-2-7-18(17)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyMYIFIBOBGOVKJC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide (CID 16801490) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide is O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide?
The InChIKey is MYIFIBOBGOVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)28(26,27)13-8-22-19(25)17-6-1-2-7-18(17)21/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide has a molecular weight of 425.91 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-fluorobenzamide is sourced from PubChem (CID 16801490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).