N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide

C20H15F2NO4S — CID 26898694

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15F2NO4S/c21-20(22)28(25,26)18-12-8-15(9-13-18)23-19(24)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-13,20H,(H,23,24)
InChIKeyCBQGZMQSFFIBRY-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.73
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide

N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide (PubChem CID 26898694) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
PubChem CID26898694
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15F2NO4S/c21-20(22)28(25,26)18-12-8-15(9-13-18)23-19(24)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-13,20H,(H,23,24)
InChIKeyCBQGZMQSFFIBRY-UHFFFAOYSA-N
XLogP4.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
CID 34074909
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide (CID 26898694) is N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide?
The InChIKey is CBQGZMQSFFIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c21-20(22)28(25,26)18-12-8-15(9-13-18)23-19(24)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-13,20H,(H,23,24).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide?
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide has a molecular weight of 403.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 26898694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).