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

C20H15Cl2FN2O5S — CID 90467489

IUPAC2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H15Cl2FN2O5S/c1-29-17-9-12(23)5-6-16(17)30-18-8-11(21)7-15(22)19(18)20(26)25-13-3-2-4-14(10-13)31(24,27)28/h2-10H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyBMIVUIPFPAOHMC-UHFFFAOYSA-N
MW485.32 g/mol
LogP4.83
Rot. Bonds6

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

2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 90467489) has the molecular formula C20H15Cl2FN2O5S and a molecular weight of 485.32 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
PubChem CID90467489
Molecular FormulaC20H15Cl2FN2O5S
Molecular Weight485.32 g/mol
Exact Mass484.01
IUPAC Name2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H15Cl2FN2O5S/c1-29-17-9-12(23)5-6-16(17)30-18-8-11(21)7-15(22)19(18)20(26)25-13-3-2-4-14(10-13)31(24,27)28/h2-10H,1H3,(H,25,26)(H2,24,27,28)
InChIKeyBMIVUIPFPAOHMC-UHFFFAOYSA-N
XLogP4.83
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.32
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
CID 90467902
4-cyano-2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide
CID 90467765
2-(4-chloro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)-N-(3-sulfamoylphenyl)benzamide
CID 90466907
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
2-(3-fluoro-4-methoxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466612
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
2-(3-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)benzamide
CID 90466610
3-(2,4-difluorophenoxy)-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319770
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide (CID 90467489) is 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide is COc1cc(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-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is BMIVUIPFPAOHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O5S/c1-29-17-9-12(23)5-6-16(17)30-18-8-11(21)7-15(22)19(18)20(26)25-13-3-2-4-14(10-13)31(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-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide?
2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 485.32 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 90467489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).