N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide

C22H24ClFN2O3S — CID 43007741

IUPACN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H24ClFN2O3S/c1-13(20-11-14-2-3-15(20)10-14)26-30(28,29)18-7-5-17(6-8-18)25-22(27)19-9-4-16(24)12-21(19)23/h4-9,12-15,20,26H,2-3,10-11H2,1H3,(H,25,27)
InChIKeyKPQZBINCSLKWPI-UHFFFAOYSA-N
MW450.96 g/mol
LogP4.83
Rot. Bonds6

About N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide

N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide (PubChem CID 43007741) has the molecular formula C22H24ClFN2O3S and a molecular weight of 450.96 g/mol. Its IUPAC name is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide
PubChem CID43007741
Molecular FormulaC22H24ClFN2O3S
Molecular Weight450.96 g/mol
Exact Mass450.12
IUPAC NameN-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide
SMILESCC(NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H24ClFN2O3S/c1-13(20-11-14-2-3-15(20)10-14)26-30(28,29)18-7-5-17(6-8-18)25-22(27)19-9-4-16(24)12-21(19)23/h4-9,12-15,20,26H,2-3,10-11H2,1H3,(H,25,27)
InChIKeyKPQZBINCSLKWPI-UHFFFAOYSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.96
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3,5-dimethylbenzamide
CID 98402946
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-methylbenzamide
CID 129376384
4-[[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]carbamoyl]benzoic acid
CID 129376889
cis-(1S,2R)-N-[4-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 124838412
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721
N-[4-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 98606904
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 129376398
3-acetamido-N-[4-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98444087
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535282
N-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 98402973

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide (CID 43007741) is N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide is CC(NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide?
The InChIKey is KPQZBINCSLKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O3S/c1-13(20-11-14-2-3-15(20)10-14)26-30(28,29)18-7-5-17(6-8-18)25-22(27)19-9-4-16(24)12-21(19)23/h4-9,12-15,20,26H,2-3,10-11H2,1H3,(H,25,27).
What are the key properties of N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide?
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide has a molecular weight of 450.96 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 43007741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).