N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

C21H29FN2O3S — CID 26910714

IUPACN-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F
InChIInChI=1S/C21H29FN2O3S/c1-3-24(4-2)28(26,27)19-10-17(5-6-18(19)22)20(25)23-21-11-14-7-15(12-21)9-16(8-14)13-21/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,23,25)
InChIKeyYCNFAGADYBBJEZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.55
Rot. Bonds6

About N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide

N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 26910714) has the molecular formula C21H29FN2O3S and a molecular weight of 408.54 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID26910714
Molecular FormulaC21H29FN2O3S
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC NameN-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F
InChIInChI=1S/C21H29FN2O3S/c1-3-24(4-2)28(26,27)19-10-17(5-6-18(19)22)20(25)23-21-11-14-7-15(12-21)9-16(8-14)13-21/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,23,25)
InChIKeyYCNFAGADYBBJEZ-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
CID 86998429
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
N-(1-adamantyl)-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24539662
3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55435187
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
5-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide
CID 55343944
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 34272039
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 26910714) is N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F.
What is the InChIKey of N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is YCNFAGADYBBJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3S/c1-3-24(4-2)28(26,27)19-10-17(5-6-18(19)22)20(25)23-21-11-14-7-15(12-21)9-16(8-14)13-21/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 408.54 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 26910714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).