N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide

C16H15NO2S — CID 134123539

IUPACN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
SMILESCS(=O)(=O)NC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H15NO2S/c1-20(18,19)17-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11,16-17H,1H3
InChIKeyMZHNSLPVQCUOMP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.81
Rot. Bonds2

About N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide

N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide (PubChem CID 134123539) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
PubChem CID134123539
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
SMILESCS(=O)(=O)NC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H15NO2S/c1-20(18,19)17-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11,16-17H,1H3
InChIKeyMZHNSLPVQCUOMP-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
CID 171986586
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
4-methyl-N-[(1R)-2-methyl-1H-inden-1-yl]benzenesulfonamide
CID 135033857
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
[(1-cyano-1H-naphthalen-2-ylidene)amino] methanesulfonate
CID 54237188
4-methyl-N-(2-phenyl-1H-inden-1-yl)benzenesulfonamide
CID 102141019

Frequently Asked Questions

What is the IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide?
The IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide (CID 134123539) is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide.
What is the SMILES notation for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide?
The canonical SMILES for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide is CS(=O)(=O)NC1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide?
The InChIKey is MZHNSLPVQCUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-20(18,19)17-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11,16-17H,1H3.
What are the key properties of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide?
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide is sourced from PubChem (CID 134123539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).