2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide

C17H22N2O4S — CID 7939190

IUPAC2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1C(N)=O)C(=O)C2
InChIInChI=1S/C17H22N2O4S/c1-16(2)11-7-8-17(16,14(20)9-11)10-24(22,23)19-13-6-4-3-5-12(13)15(18)21/h3-6,11,19H,7-10H2,1-2H3,(H2,18,21)/t11-,17-/m1/s1
InChIKeyDZFQEVYFBOJQEQ-PIGZYNQJSA-N
MW350.44 g/mol
LogP1.92
Rot. Bonds5

About 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide

2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide (PubChem CID 7939190) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide.

Molecular Properties

Compound Name2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
PubChem CID7939190
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide
SMILESCC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1C(N)=O)C(=O)C2
InChIInChI=1S/C17H22N2O4S/c1-16(2)11-7-8-17(16,14(20)9-11)10-24(22,23)19-13-6-4-3-5-12(13)15(18)21/h3-6,11,19H,7-10H2,1-2H3,(H2,18,21)/t11-,17-/m1/s1
InChIKeyDZFQEVYFBOJQEQ-PIGZYNQJSA-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

Analyze 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide with MolForge

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Related Compounds

(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-phenylmethanesulfonamide
CID 386481
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-phenylmethanesulfonamide
CID 1537022
(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(4-methylphenyl)methanesulfonamide
CID 3610832
2-{[(2-Methylpropyl)sulfonyl]amino}benzamide
CID 17386150
1-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(3-methylphenyl)methanesulfonamide
CID 3258129
N-(4-butylphenyl)-1-{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonamide
CID 3399744
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2,4-dimethylphenyl)methanesulfonamide
CID 3634883
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[4-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]phenyl]methanesulfonamide
CID 170691228
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(4-ethylphenyl)methanesulfonamide
CID 5268682
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 5268696
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 23430831
1-{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}-N-(2-methylphenyl)methanesulfonamide
CID 3449434

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide?
The IUPAC name of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide (CID 7939190) is 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide.
What is the SMILES notation for 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide?
The canonical SMILES for 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide is CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1C(N)=O)C(=O)C2.
What is the InChIKey of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide?
The InChIKey is DZFQEVYFBOJQEQ-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-16(2)11-7-8-17(16,14(20)9-11)10-24(22,23)19-13-6-4-3-5-12(13)15(18)21/h3-6,11,19H,7-10H2,1-2H3,(H2,18,21)/t11-,17-/m1/s1.
What are the key properties of 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide?
2-[[(1S,4R)-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 2-[[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]benzamide is sourced from PubChem (CID 7939190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).