3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide

C18H29FN2O3S — CID 55670053

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1F
InChIInChI=1S/C18H29FN2O3S/c1-7-20(8-2)25(23,24)17-11-15(9-10-16(17)19)18(22)21(14(5)6)12-13(3)4/h9-11,13-14H,7-8,12H2,1-6H3
InChIKeyUFSTVJDTSRGKBB-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.36
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide

3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide (PubChem CID 55670053) has the molecular formula C18H29FN2O3S and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
PubChem CID55670053
Molecular FormulaC18H29FN2O3S
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1F
InChIInChI=1S/C18H29FN2O3S/c1-7-20(8-2)25(23,24)17-11-15(9-10-16(17)19)18(22)21(14(5)6)12-13(3)4/h9-11,13-14H,7-8,12H2,1-6H3
InChIKeyUFSTVJDTSRGKBB-UHFFFAOYSA-N
XLogP3.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
CID 55601920
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55594889
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 79378930
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530056
[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26910714
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55819127
N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 51327989

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide (CID 55670053) is 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(C)C)C(C)C)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The InChIKey is UFSTVJDTSRGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3S/c1-7-20(8-2)25(23,24)17-11-15(9-10-16(17)19)18(22)21(14(5)6)12-13(3)4/h9-11,13-14H,7-8,12H2,1-6H3.
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide has a molecular weight of 372.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55670053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).