N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide

C24H23NO2S — CID 59770305

IUPACN-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(c1)/C(=C\c1cccc(NS(C)(=O)=O)c1)c1ccccc1CC2
InChIInChI=1S/C24H23NO2S/c1-17-10-11-20-13-12-19-7-3-4-9-22(19)24(23(20)14-17)16-18-6-5-8-21(15-18)25-28(2,26)27/h3-11,14-16,25H,12-13H2,1-2H3/b24-16-
InChIKeyIVCMCABYESKPDZ-JLPGSUDCSA-N
MW389.52 g/mol
LogP5.05
Rot. Bonds3

About N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide

N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide (PubChem CID 59770305) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
PubChem CID59770305
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC NameN-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(c1)/C(=C\c1cccc(NS(C)(=O)=O)c1)c1ccccc1CC2
InChIInChI=1S/C24H23NO2S/c1-17-10-11-20-13-12-19-7-3-4-9-22(19)24(23(20)14-17)16-18-6-5-8-21(15-18)25-28(2,26)27/h3-11,14-16,25H,12-13H2,1-2H3/b24-16-
InChIKeyIVCMCABYESKPDZ-JLPGSUDCSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.05
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-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide (CID 59770305) is N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide is Cc1ccc2c(c1)/C(=C\c1cccc(NS(C)(=O)=O)c1)c1ccccc1CC2.
What is the InChIKey of N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide?
The InChIKey is IVCMCABYESKPDZ-JLPGSUDCSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-17-10-11-20-13-12-19-7-3-4-9-22(19)24(23(20)14-17)16-18-6-5-8-21(15-18)25-28(2,26)27/h3-11,14-16,25H,12-13H2,1-2H3/b24-16-.
What are the key properties of N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide?
N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59770305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).