N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

C22H25FN2O3S — CID 43009015

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H25FN2O3S/c1-14(21-13-15-2-3-17(21)12-15)24-22(26)16-4-10-20(11-5-16)29(27,28)25-19-8-6-18(23)7-9-19/h4-11,14-15,17,21,25H,2-3,12-13H2,1H3,(H,24,26)
InChIKeyALPFJDDSNBEUCH-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.18
Rot. Bonds6

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 43009015) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID43009015
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H25FN2O3S/c1-14(21-13-15-2-3-17(21)12-15)24-22(26)16-4-10-20(11-5-16)29(27,28)25-19-8-6-18(23)7-9-19/h4-11,14-15,17,21,25H,2-3,12-13H2,1H3,(H,24,26)
InChIKeyALPFJDDSNBEUCH-UHFFFAOYSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(carbamoylamino)benzamide
CID 78789513
4-(azepan-1-ylsulfonyl)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzamide
CID 98287722
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110496304
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 4216853
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 43009019
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
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217175
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
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
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (CID 43009015) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is ALPFJDDSNBEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-14(21-13-15-2-3-17(21)12-15)24-22(26)16-4-10-20(11-5-16)29(27,28)25-19-8-6-18(23)7-9-19/h4-11,14-15,17,21,25H,2-3,12-13H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.18, 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-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43009015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).