5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide

C20H23F3N2O4S — CID 34976198

IUPAC5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O4S/c1-4-25(5-2)30(27,28)16-10-11-18(21)17(12-16)19(26)24(3)13-14-6-8-15(9-7-14)29-20(22)23/h6-12,20H,4-5,13H2,1-3H3
InChIKeyAUZFFEOQOMVXRG-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.73
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide

5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide (PubChem CID 34976198) has the molecular formula C20H23F3N2O4S and a molecular weight of 444.48 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
PubChem CID34976198
Molecular FormulaC20H23F3N2O4S
Molecular Weight444.48 g/mol
Exact Mass444.13
IUPAC Name5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C20H23F3N2O4S/c1-4-25(5-2)30(27,28)16-10-11-18(21)17(12-16)19(26)24(3)13-14-6-8-15(9-7-14)29-20(22)23/h6-12,20H,4-5,13H2,1-3H3
InChIKeyAUZFFEOQOMVXRG-UHFFFAOYSA-N
XLogP3.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 41249723
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16578035
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide (CID 34976198) is 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is AUZFFEOQOMVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4S/c1-4-25(5-2)30(27,28)16-10-11-18(21)17(12-16)19(26)24(3)13-14-6-8-15(9-7-14)29-20(22)23/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide?
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 444.48 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 34976198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).