4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide

C22H20N2O2S — CID 2748825

IUPAC4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2S/c1-16-10-14-19(15-11-16)27(25,26)24-23-22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)22/h2-11,14-15,24H,12-13H2,1H3
InChIKeyQRVDAVHHUNOGBT-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.82
Rot. Bonds3

About 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide

4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide (PubChem CID 2748825) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide
PubChem CID2748825
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2S/c1-16-10-14-19(15-11-16)27(25,26)24-23-22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)22/h2-11,14-15,24H,12-13H2,1H3
InChIKeyQRVDAVHHUNOGBT-UHFFFAOYSA-N
XLogP3.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide (CID 2748825) is 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide?
The InChIKey is QRVDAVHHUNOGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-16-10-14-19(15-11-16)27(25,26)24-23-22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)22/h2-11,14-15,24H,12-13H2,1H3.
What are the key properties of 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide?
4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)benzenesulfonamide is sourced from PubChem (CID 2748825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).