N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide

C20H15F2NO4S — CID 2354116

IUPACN-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H15F2NO4S/c1-27-18-11-10-14(28(25,26)13-6-3-2-4-7-13)12-17(18)23-20(24)19-15(21)8-5-9-16(19)22/h2-12H,1H3,(H,23,24)
InChIKeyMJERRGYYXJVSRC-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.06
Rot. Bonds5

About N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide

N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide (PubChem CID 2354116) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide
PubChem CID2354116
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC NameN-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H15F2NO4S/c1-27-18-11-10-14(28(25,26)13-6-3-2-4-7-13)12-17(18)23-20(24)19-15(21)8-5-9-16(19)22/h2-12H,1H3,(H,23,24)
InChIKeyMJERRGYYXJVSRC-UHFFFAOYSA-N
XLogP4.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
CID 55893583
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide (CID 2354116) is N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide is COc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The InChIKey is MJERRGYYXJVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c1-27-18-11-10-14(28(25,26)13-6-3-2-4-7-13)12-17(18)23-20(24)19-15(21)8-5-9-16(19)22/h2-12H,1H3,(H,23,24).
What are the key properties of N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide has a molecular weight of 403.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 2354116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).