N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide

C20H14ClF2NO4S — CID 24514279

IUPACN-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H14ClF2NO4S/c21-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)24-19(25)13-9-11-14(12-10-13)29(26,27)20(22)23/h1-12,20H,(H,24,25)
InChIKeyVKGAFDQCTYAQBT-UHFFFAOYSA-N
MW437.85 g/mol
LogP5.38
Rot. Bonds6

About N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide

N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide (PubChem CID 24514279) has the molecular formula C20H14ClF2NO4S and a molecular weight of 437.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
PubChem CID24514279
Molecular FormulaC20H14ClF2NO4S
Molecular Weight437.85 g/mol
Exact Mass437.03
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H14ClF2NO4S/c21-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)24-19(25)13-9-11-14(12-10-13)29(26,27)20(22)23/h1-12,20H,(H,24,25)
InChIKeyVKGAFDQCTYAQBT-UHFFFAOYSA-N
XLogP5.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-chloro-N-[2-(2-chlorophenoxy)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 37348272
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide (CID 24514279) is N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is VKGAFDQCTYAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO4S/c21-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)24-19(25)13-9-11-14(12-10-13)29(26,27)20(22)23/h1-12,20H,(H,24,25).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide?
N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 437.85 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 24514279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).