N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide

C20H16ClFN2O4S — CID 176652448

IUPACN-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1-c1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H16ClFN2O4S/c1-12(25)24-18-7-6-15(22)11-17(18)13-5-8-19(20(9-13)29(23,26)27)28-16-4-2-3-14(21)10-16/h2-11H,1H3,(H,24,25)(H2,23,26,27)
InChIKeyOJQAKKOXXSCSHX-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.54
Rot. Bonds5

About N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide

N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide (PubChem CID 176652448) has the molecular formula C20H16ClFN2O4S and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide
PubChem CID176652448
Molecular FormulaC20H16ClFN2O4S
Molecular Weight434.88 g/mol
Exact Mass434.05
IUPAC NameN-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)cc1-c1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H16ClFN2O4S/c1-12(25)24-18-7-6-15(22)11-17(18)13-5-8-19(20(9-13)29(23,26)27)28-16-4-2-3-14(21)10-16/h2-11H,1H3,(H,24,25)(H2,23,26,27)
InChIKeyOJQAKKOXXSCSHX-UHFFFAOYSA-N
XLogP4.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide?
The IUPAC name of N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide (CID 176652448) is N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)cc1-c1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide?
The InChIKey is OJQAKKOXXSCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4S/c1-12(25)24-18-7-6-15(22)11-17(18)13-5-8-19(20(9-13)29(23,26)27)28-16-4-2-3-14(21)10-16/h2-11H,1H3,(H,24,25)(H2,23,26,27).
What are the key properties of N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide?
N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide has a molecular weight of 434.88 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-4-fluorophenyl]acetamide is sourced from PubChem (CID 176652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).