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

C18H20F2N2O4S — CID 26901213

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(24,25)12-9-10-16(26-3)15(11-12)21-18(23)17-13(19)7-6-8-14(17)20/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyPCIAPXWCUWXBLN-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.26
Rot. Bonds7

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

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide (PubChem CID 26901213) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
PubChem CID26901213
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(24,25)12-9-10-16(26-3)15(11-12)21-18(23)17-13(19)7-6-8-14(17)20/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyPCIAPXWCUWXBLN-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 2354116
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
CID 3735954
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31509802
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide (CID 26901213) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
The InChIKey is PCIAPXWCUWXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(24,25)12-9-10-16(26-3)15(11-12)21-18(23)17-13(19)7-6-8-14(17)20/h6-11H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide has a molecular weight of 398.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 26901213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).