N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide

C18H25NO3S — CID 10472147

IUPACN-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)C1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C18H25NO3S/c1-17(2)14-10-11-18(17,3)16(20)15(14)23(21,22)19(4)12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3
InChIKeyGGQAQSHBUFLPNH-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide

N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide (PubChem CID 10472147) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide
PubChem CID10472147
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)C1C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C18H25NO3S/c1-17(2)14-10-11-18(17,3)16(20)15(14)23(21,22)19(4)12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3
InChIKeyGGQAQSHBUFLPNH-UHFFFAOYSA-N
XLogP2.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1'-(((7,7-dimethyl-2-oxobicyclo(2.2.1) hept-1-yl)methyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 44351086
(1R)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 44351226
1-(7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-N-(4-(trifluoromethyl)benzyl)methanesulfonamide
CID 2740786
(1S,4R)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 10069537
(1S)-3,7,7-trimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 44350953
(1S)-7,7-dimethyl-1-[(3'-methylspiro[indene-1,4'-piperidine]-1'-yl)sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 44351052
1-(((4-(Diphenylmethyl)piperazinyl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 3154060
(1S)-1-[(4,4-diphenylpiperidin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 44351031
N-benzyl-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(4R,5S)-5-fluoroundec-1-yn-4-yl]methanesulfonamide
CID 139189763
N-benzyl-1-((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methane sulfonimidoyl fluoride
CID 163201499
N-benzyl-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 89612855
N-benzyl-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(5,5,5-trifluoropentyl)methanesulfonamide
CID 170691392

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide?
The IUPAC name of N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide (CID 10472147) is N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide.
What is the SMILES notation for N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide?
The canonical SMILES for N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)C1C(=O)C2(C)CCC1C2(C)C.
What is the InChIKey of N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide?
The InChIKey is GGQAQSHBUFLPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-17(2)14-10-11-18(17,3)16(20)15(14)23(21,22)19(4)12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3.
What are the key properties of N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide?
N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonamide is sourced from PubChem (CID 10472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).