N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide

C20H15F3N2O4S — CID 37312010

IUPACN-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F3N2O4S/c21-14-7-11-16(12-8-14)30(27,28)25-15-9-5-13(6-10-15)19(26)24-17-3-1-2-4-18(17)29-20(22)23/h1-12,20,25H,(H,24,26)
InChIKeyKEZDVOTZWDIWBH-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.48
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 37312010) has the molecular formula C20H15F3N2O4S and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID37312010
Molecular FormulaC20H15F3N2O4S
Molecular Weight436.41 g/mol
Exact Mass436.07
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15F3N2O4S/c21-14-7-11-16(12-8-14)30(27,28)25-15-9-5-13(6-10-15)19(26)24-17-3-1-2-4-18(17)29-20(22)23/h1-12,20,25H,(H,24,26)
InChIKeyKEZDVOTZWDIWBH-UHFFFAOYSA-N
XLogP4.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 55417394
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-[(4-fluorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18278956
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 37312010) is N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is KEZDVOTZWDIWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4S/c21-14-7-11-16(12-8-14)30(27,28)25-15-9-5-13(6-10-15)19(26)24-17-3-1-2-4-18(17)29-20(22)23/h1-12,20,25H,(H,24,26).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 436.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 37312010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).