N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide

C18H20F2N2O4S — CID 8883724

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H20F2N2O4S/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)21-17(23)15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyVDQJBQOTBJPEKY-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.57
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide

N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide (PubChem CID 8883724) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
PubChem CID8883724
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H20F2N2O4S/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)21-17(23)15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyVDQJBQOTBJPEKY-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
3-[[1-[2-(difluoromethoxy)phenyl]ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2401208
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
N-[1-[3-(diethylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 24640018
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25346203
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
4-(diethylsulfamoyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 31398138
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide (CID 8883724) is N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide?
The InChIKey is VDQJBQOTBJPEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-3-22(4-2)27(24,25)14-9-7-8-13(12-14)21-17(23)15-10-5-6-11-16(15)26-18(19)20/h5-12,18H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide has a molecular weight of 398.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 8883724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).