3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide

C17H23NO3S — CID 98348700

IUPAC3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C17H23NO3S/c1-11(17-9-13-6-7-15(17)8-13)18-22(20,21)16-5-3-4-14(10-16)12(2)19/h3-5,10-11,13,15,17-18H,6-9H2,1-2H3/t11-,13+,15+,17-/m0/s1
InChIKeyXDKQZASWFPKWLP-IYDIDCQVSA-N
MW321.44 g/mol
LogP2.99
Rot. Bonds5

About 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide

3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide (PubChem CID 98348700) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
PubChem CID98348700
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C17H23NO3S/c1-11(17-9-13-6-7-15(17)8-13)18-22(20,21)16-5-3-4-14(10-16)12(2)19/h3-5,10-11,13,15,17-18H,6-9H2,1-2H3/t11-,13+,15+,17-/m0/s1
InChIKeyXDKQZASWFPKWLP-IYDIDCQVSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

3-acetyl-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348707
3-acetamido-N-[4-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98444087
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4964620
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2548756
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 98785453
1-(3-acetylphenyl)sulfonyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
CID 46561024
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 124720169
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide (CID 98348700) is 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1.
What is the InChIKey of 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The InChIKey is XDKQZASWFPKWLP-IYDIDCQVSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-11(17-9-13-6-7-15(17)8-13)18-22(20,21)16-5-3-4-14(10-16)12(2)19/h3-5,10-11,13,15,17-18H,6-9H2,1-2H3/t11-,13+,15+,17-/m0/s1.
What are the key properties of 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide has a molecular weight of 321.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 98348700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).