N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide

C20H21NO3S — CID 59993581

IUPACN-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)C1C2CCC(C2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO3S/c22-20(15-9-5-2-6-10-15)21-25(23,24)19-17-12-11-16(13-17)18(19)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,21,22)
InChIKeyILQPWMCCURUYJR-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.33
Rot. Bonds4

About N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide

N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide (PubChem CID 59993581) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide.

Molecular Properties

Compound NameN-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
PubChem CID59993581
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)C1C2CCC(C2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO3S/c22-20(15-9-5-2-6-10-15)21-25(23,24)19-17-12-11-16(13-17)18(19)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,21,22)
InChIKeyILQPWMCCURUYJR-UHFFFAOYSA-N
XLogP3.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-ylsulfonyl)benzamide
CID 47479884
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
CID 131123237
(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 11823874
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
(4-benzoyloxy-5-phenyl-3-tricyclo[5.2.1.02,6]decanyl) benzoate
CID 170674052
N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide
CID 129440770
(1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]heptan-2-amine
CID 13405457
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide
CID 154864345
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide?
The IUPAC name of N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide (CID 59993581) is N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide.
What is the SMILES notation for N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide?
The canonical SMILES for N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide is O=C(NS(=O)(=O)C1C2CCC(C2)C1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide?
The InChIKey is ILQPWMCCURUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c22-20(15-9-5-2-6-10-15)21-25(23,24)19-17-12-11-16(13-17)18(19)14-7-3-1-4-8-14/h1-10,16-19H,11-13H2,(H,21,22).
What are the key properties of N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide?
N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide is sourced from PubChem (CID 59993581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).