3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide

C38H26F2N2O6S — CID 3108224

IUPAC3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5cccc(F)c5)cc4)cc3)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C38H26F2N2O6S/c39-27-5-1-3-25(23-27)37(43)41-29-7-11-31(12-8-29)47-33-15-19-35(20-16-33)49(45,46)36-21-17-34(18-22-36)48-32-13-9-30(10-14-32)42-38(44)26-4-2-6-28(40)24-26/h1-24H,(H,41,43)(H,42,44)
InChIKeyQRGUTTFESDLWKT-UHFFFAOYSA-N
MW676.70 g/mol
LogP8.89
Rot. Bonds10

About 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide

3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide (PubChem CID 3108224) has the molecular formula C38H26F2N2O6S and a molecular weight of 676.70 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
PubChem CID3108224
Molecular FormulaC38H26F2N2O6S
Molecular Weight676.70 g/mol
Exact Mass676.15
IUPAC Name3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5cccc(F)c5)cc4)cc3)cc2)cc1)c1cccc(F)c1
InChIInChI=1S/C38H26F2N2O6S/c39-27-5-1-3-25(23-27)37(43)41-29-7-11-31(12-8-29)47-33-15-19-35(20-16-33)49(45,46)36-21-17-34(18-22-36)48-32-13-9-30(10-14-32)42-38(44)26-4-2-6-28(40)24-26/h1-24H,(H,41,43)(H,42,44)
InChIKeyQRGUTTFESDLWKT-UHFFFAOYSA-N
XLogP8.89
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.70
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-fluoro-3-{[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl}-N-(4-phenoxyphenyl)benzamide
CID 3412770
4-Fluoro-3-((3-methyl-4-(m-tolyl)piperazin-1-yl)sulfonyl)-N-(4-phenoxyphenyl)benzamide
CID 16034099
3-[benzyl(ethyl)sulfamoyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide
CID 4060605
4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4088492
3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide
CID 4558932
3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 4841294
6-(4-fluoro-2-phenylmethoxyphenyl)-N-(4-methoxyphenyl)-9,10,10-trioxothioxanthene-1-carboxamide
CID 42628103
3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
CID 155804194
3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide
CID 155817614
N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide
CID 155882993
N-(4-isopropoxyphenyl)-2-[[2-[(4-isopropoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 465333

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide (CID 3108224) is 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide is O=C(Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)c5cccc(F)c5)cc4)cc3)cc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
The InChIKey is QRGUTTFESDLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26F2N2O6S/c39-27-5-1-3-25(23-27)37(43)41-29-7-11-31(12-8-29)47-33-15-19-35(20-16-33)49(45,46)36-21-17-34(18-22-36)48-32-13-9-30(10-14-32)42-38(44)26-4-2-6-28(40)24-26/h1-24H,(H,41,43)(H,42,44).
What are the key properties of 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide?
3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide has a molecular weight of 676.70 g/mol, XLogP of 8.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-[4-[4-[(3-fluorobenzoyl)amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]benzamide is sourced from PubChem (CID 3108224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).