2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide

C20H15Cl2FN2O4S — CID 90467490

IUPAC2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H15Cl2FN2O4S/c1-11-7-13(23)5-6-17(11)29-18-9-12(21)8-16(22)19(18)20(26)25-14-3-2-4-15(10-14)30(24,27)28/h2-10H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyPCMBTCRFWXBQNC-UHFFFAOYSA-N
MW469.32 g/mol
LogP5.13
Rot. Bonds5

About 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide

2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 90467490) has the molecular formula C20H15Cl2FN2O4S and a molecular weight of 469.32 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide
PubChem CID90467490
Molecular FormulaC20H15Cl2FN2O4S
Molecular Weight469.32 g/mol
Exact Mass468.01
IUPAC Name2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H15Cl2FN2O4S/c1-11-7-13(23)5-6-17(11)29-18-9-12(21)8-16(22)19(18)20(26)25-14-3-2-4-15(10-14)30(24,27)28/h2-10H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyPCMBTCRFWXBQNC-UHFFFAOYSA-N
XLogP5.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.32
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide (CID 90467490) is 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide is Cc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is PCMBTCRFWXBQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O4S/c1-11-7-13(23)5-6-17(11)29-18-9-12(21)8-16(22)19(18)20(26)25-14-3-2-4-15(10-14)30(24,27)28/h2-10H,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide?
2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 469.32 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90467490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).