N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide

C22H24Cl2N2O3S — CID 4216853

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC2CCC1C2
InChIInChI=1S/C22H24Cl2N2O3S/c1-13(19-11-14-2-3-15(19)10-14)25-22(27)16-4-9-20(24)21(12-16)30(28,29)26-18-7-5-17(23)6-8-18/h4-9,12-15,19,26H,2-3,10-11H2,1H3,(H,25,27)
InChIKeyOAWGIORAXWUGLV-UHFFFAOYSA-N
MW467.42 g/mol
LogP5.35
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide (PubChem CID 4216853) has the molecular formula C22H24Cl2N2O3S and a molecular weight of 467.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
PubChem CID4216853
Molecular FormulaC22H24Cl2N2O3S
Molecular Weight467.42 g/mol
Exact Mass466.09
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC2CCC1C2
InChIInChI=1S/C22H24Cl2N2O3S/c1-13(19-11-14-2-3-15(19)10-14)25-22(27)16-4-9-20(24)21(12-16)30(28,29)26-18-7-5-17(23)6-8-18/h4-9,12-15,19,26H,2-3,10-11H2,1H3,(H,25,27)
InChIKeyOAWGIORAXWUGLV-UHFFFAOYSA-N
XLogP5.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 46561051
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
3-(azepan-1-ylsulfonyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chlorobenzamide
CID 4839302
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-3-(diethylsulfamoyl)benzamide
CID 129376494
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43009015
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl] 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoate
CID 4835977
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513
[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 42912813
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide (CID 4216853) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is OAWGIORAXWUGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3S/c1-13(19-11-14-2-3-15(19)10-14)25-22(27)16-4-9-20(24)21(12-16)30(28,29)26-18-7-5-17(23)6-8-18/h4-9,12-15,19,26H,2-3,10-11H2,1H3,(H,25,27).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 467.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4216853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).