4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide

C20H26ClFN2O4S — CID 72545920

IUPAC4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F
InChIInChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
InChIKeyYBKLIHPBBHWBDZ-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.47
Rot. Bonds6

About 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide

4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 72545920) has the molecular formula C20H26ClFN2O4S and a molecular weight of 444.96 g/mol. Its IUPAC name is 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID72545920
Molecular FormulaC20H26ClFN2O4S
Molecular Weight444.96 g/mol
Exact Mass444.13
IUPAC Name4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F
InChIInChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25)
InChIKeyYBKLIHPBBHWBDZ-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(adamantan-1-ylmethoxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide
CID 72545669
4-(adamantan-1-ylmethoxy)-3-chloro-N-(methylsulfonyl)benzamide
CID 86702832
5-chloro-4-((4,4-difluoroadamantan-1-yl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86702863
5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86703483
5-Chloro-2-fluoro-N-(methylsulfonyl)-4-((3,5,7-trifluoroadamantan-1-yl)methoxy)benzamide
CID 86703576
4-(1-adamantylmethoxy)-2,5-dichloro-N-methylsulfonylbenzamide
CID 90015936
5-chloro-2-fluoro-4-[(3-fluoro-1-adamantyl)methoxy]-N-methylsulfonylbenzamide
CID 90017117
5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide
CID 91809338
5-chloro-4-cyclohexyloxy-2-fluoro-N-methylsulfonylbenzamide
CID 91809365
N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-2-adamantyl)oxy]-5-cyclopropyl-2-fluorobenzamide
CID 91809389
5-chloro-2-fluoro-4-[(3-hydroxy-1-adamantyl)methoxy]-N-methylsulfonylbenzamide
CID 91809335
4-(adamantan-2-yloxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide
CID 72545670

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide (CID 72545920) is 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide is CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F.
What is the InChIKey of 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is YBKLIHPBBHWBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O4S/c1-24(2)29(26,27)23-20(25)15-8-17(21)19(9-18(15)22)28-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,3-7,10H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide?
4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 444.96 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylmethoxy)-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 72545920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).