3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide

C17H22N2O4S — CID 3867435

IUPAC3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1cccc(C(N)=O)c1)C(=O)C2
InChIInChI=1S/C17H22N2O4S/c1-16(2)12-6-7-17(16,14(20)9-12)10-24(22,23)19-13-5-3-4-11(8-13)15(18)21/h3-5,8,12,19H,6-7,9-10H2,1-2H3,(H2,18,21)
InChIKeyYCAAMDBBPDUXDP-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.92
Rot. Bonds5

About 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide

3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide (PubChem CID 3867435) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide
PubChem CID3867435
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)Nc1cccc(C(N)=O)c1)C(=O)C2
InChIInChI=1S/C17H22N2O4S/c1-16(2)12-6-7-17(16,14(20)9-12)10-24(22,23)19-13-5-3-4-11(8-13)15(18)21/h3-5,8,12,19H,6-7,9-10H2,1-2H3,(H2,18,21)
InChIKeyYCAAMDBBPDUXDP-UHFFFAOYSA-N
XLogP1.92
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 40517529
N-(4-acetylphenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430864
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
CID 75414493
4-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzenesulfonamide
CID 53322880
N-[4-[[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]phenyl]sulfonylacetamide
CID 27059097
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-(3-methylphenyl)acetamide
CID 5240483
2-[4-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]phenyl]-N,N-dimethylacetamide
CID 91624479
N-(2,3-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430856
methyl 2-[[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzoate
CID 18532238
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 730436
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 730440

Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide?
The IUPAC name of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide (CID 3867435) is 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide is CC1(C)C2CCC1(CS(=O)(=O)Nc1cccc(C(N)=O)c1)C(=O)C2.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide?
The InChIKey is YCAAMDBBPDUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-16(2)12-6-7-17(16,14(20)9-12)10-24(22,23)19-13-5-3-4-11(8-13)15(18)21/h3-5,8,12,19H,6-7,9-10H2,1-2H3,(H2,18,21).
What are the key properties of 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide?
3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide has a molecular weight of 350.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]benzamide is sourced from PubChem (CID 3867435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).