5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C18H26F4N2O3S — CID 86933981

IUPAC5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1
InChIInChI=1S/C18H26F4N2O3S/c1-6-24(7-2)28(26,27)13-8-9-15(19)14(10-13)16(25)23(11-17(3,4)5)12-18(20,21)22/h8-10H,6-7,11-12H2,1-5H3
InChIKeyDMWZVNMKPMUDNU-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.91
Rot. Bonds7

About 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 86933981) has the molecular formula C18H26F4N2O3S and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID86933981
Molecular FormulaC18H26F4N2O3S
Molecular Weight426.48 g/mol
Exact Mass426.16
IUPAC Name5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1
InChIInChI=1S/C18H26F4N2O3S/c1-6-24(7-2)28(26,27)13-8-9-15(19)14(10-13)16(25)23(11-17(3,4)5)12-18(20,21)22/h8-10H,6-7,11-12H2,1-5H3
InChIKeyDMWZVNMKPMUDNU-UHFFFAOYSA-N
XLogP3.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8625969

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 86933981) is 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DMWZVNMKPMUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4N2O3S/c1-6-24(7-2)28(26,27)13-8-9-15(19)14(10-13)16(25)23(11-17(3,4)5)12-18(20,21)22/h8-10H,6-7,11-12H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 86933981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).