N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

C24H23FN2OS — CID 166592829

IUPACN-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILES[H]N=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2OS/c25-20-13-15-21(16-14-20)29(26,28)27-17-5-10-24-22-8-3-1-6-18(22)11-12-19-7-2-4-9-23(19)24/h1-4,6-10,13-16H,5,11-12,17H2,(H2,26,27,28)
InChIKeyTXLSJPFZDXIDPJ-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.36
Rot. Bonds5

About N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (PubChem CID 166592829) has the molecular formula C24H23FN2OS and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
PubChem CID166592829
Molecular FormulaC24H23FN2OS
Molecular Weight406.53 g/mol
Exact Mass406.15
IUPAC NameN-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
SMILES[H]N=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2OS/c25-20-13-15-21(16-14-20)29(26,28)27-17-5-10-24-22-8-3-1-6-18(22)11-12-19-7-2-4-9-23(19)24/h1-4,6-10,13-16H,5,11-12,17H2,(H2,26,27,28)
InChIKeyTXLSJPFZDXIDPJ-UHFFFAOYSA-N
XLogP5.36
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine with MolForge

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Related Compounds

N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)benzenesulfonamide
CID 57736637
N-[2-(2''-Fluoro-biphenyl-4-yl)-propyl]-benzenesulfonamide
CID 10737832
N-(3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)-4-cyanobenzenesulfonamide
CID 71263429
N-(3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl)-4-fluorobenzenesulfonamide
CID 86728085
N-(6-aminohexyl)-3-(2,4-difluorophenyl)benzenesulfonamide
CID 171343785
N-(8-aminooctyl)-3-(2,4-difluorophenyl)benzenesulfonamide
CID 171344135
N-(7-aminoheptyl)-3-(2,4-difluorophenyl)benzenesulfonamide
CID 171354450
N-(3,3-diphenylpropyl)-4-fluorobenzenesulfonamide
CID 602413
N-(3,3-diphenylallyl)-4-fluoro-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CID 164786106
N-[(2R)-3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 134960766
N-[3-(3-fluorophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 154715531
N-[4-(3-fluorophenyl)-4-phenylbutyl]-4-methylbenzenesulfonamide
CID 162407658

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine (CID 166592829) is N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is [H]N=S(=O)(NCCC=C1c2ccccc2CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
The InChIKey is TXLSJPFZDXIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2OS/c25-20-13-15-21(16-14-20)29(26,28)27-17-5-10-24-22-8-3-1-6-18(22)11-12-19-7-2-4-9-23(19)24/h1-4,6-10,13-16H,5,11-12,17H2,(H2,26,27,28).
What are the key properties of N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine?
N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine has a molecular weight of 406.53 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)sulfonimidoyl]-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine is sourced from PubChem (CID 166592829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).