N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide

C27H32ClFN2O3S — CID 58624488

IUPACN-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H32ClFN2O3S/c1-17(27-13-19-8-20(14-27)10-21(9-19)15-27)30-26(32)22-11-25(24(29)12-23(22)28)35(33,34)31(2)16-18-6-4-3-5-7-18/h3-7,11-12,17,19-21H,8-10,13-16H2,1-2H3,(H,30,32)
InChIKeyGHKCBHQAMBBJNZ-UHFFFAOYSA-N
MW519.08 g/mol
LogP5.63
Rot. Bonds7

About N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide

N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide (PubChem CID 58624488) has the molecular formula C27H32ClFN2O3S and a molecular weight of 519.08 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide
PubChem CID58624488
Molecular FormulaC27H32ClFN2O3S
Molecular Weight519.08 g/mol
Exact Mass518.18
IUPAC NameN-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H32ClFN2O3S/c1-17(27-13-19-8-20(14-27)10-21(9-19)15-27)30-26(32)22-11-25(24(29)12-23(22)28)35(33,34)31(2)16-18-6-4-3-5-7-18/h3-7,11-12,17,19-21H,8-10,13-16H2,1-2H3,(H,30,32)
InChIKeyGHKCBHQAMBBJNZ-UHFFFAOYSA-N
XLogP5.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.08
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-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

N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 98383347
N-[1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 4606140
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 7929622
N-(2-amino-2-oxo-1-phenylethyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 17425706
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798
N-[(1S)-1-(1-adamantyl)ethyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 7371510
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
N-[(1R)-1-(1-adamantyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51544551

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide (CID 58624488) is N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide is CC(NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)c(F)cc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide?
The InChIKey is GHKCBHQAMBBJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN2O3S/c1-17(27-13-19-8-20(14-27)10-21(9-19)15-27)30-26(32)22-11-25(24(29)12-23(22)28)35(33,34)31(2)16-18-6-4-3-5-7-18/h3-7,11-12,17,19-21H,8-10,13-16H2,1-2H3,(H,30,32).
What are the key properties of N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide?
N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide has a molecular weight of 519.08 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-5-[benzyl(methyl)sulfamoyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 58624488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).