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

C23H21NO2S — CID 59770003

IUPACN-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3
InChIKeyWLMLZKXAEFRSCP-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.75
Rot. Bonds3

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

N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide (PubChem CID 59770003) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide
PubChem CID59770003
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3
InChIKeyWLMLZKXAEFRSCP-UHFFFAOYSA-N
XLogP4.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide (CID 59770003) is N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide?
The InChIKey is WLMLZKXAEFRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3.
What are the key properties of N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide?
N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59770003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).