N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide

C25H24FNO2S — CID 69301468

IUPACN-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide
SMILESO=S(=O)(NC1C2CCC1Cc1cc(-c3cccc(F)c3)ccc1C2)c1ccccc1
InChIInChI=1S/C25H24FNO2S/c26-23-6-4-5-17(16-23)18-9-10-19-13-20-11-12-21(15-22(19)14-18)25(20)27-30(28,29)24-7-2-1-3-8-24/h1-10,14,16,20-21,25,27H,11-13,15H2
InChIKeyMDSSTPHRXHJEOA-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.96
Rot. Bonds4

About N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide

N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide (PubChem CID 69301468) has the molecular formula C25H24FNO2S and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide
PubChem CID69301468
Molecular FormulaC25H24FNO2S
Molecular Weight421.54 g/mol
Exact Mass421.15
IUPAC NameN-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide
SMILESO=S(=O)(NC1C2CCC1Cc1cc(-c3cccc(F)c3)ccc1C2)c1ccccc1
InChIInChI=1S/C25H24FNO2S/c26-23-6-4-5-17(16-23)18-9-10-19-13-20-11-12-21(15-22(19)14-18)25(20)27-30(28,29)24-7-2-1-3-8-24/h1-10,14,16,20-21,25,27H,11-13,15H2
InChIKeyMDSSTPHRXHJEOA-UHFFFAOYSA-N
XLogP4.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,6-pentafluoro-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)benzenesulfonamide
CID 87773175
(4-methoxyphenyl) N-[13-(benzenesulfonamido)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]carbamate
CID 69301487
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 14391833
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
N-[(13R)-5-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]pyrrolidine-1-sulfonamide
CID 58617909
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
(1R,10S,13R)-N-(cyclobutylsulfamoyl)-5-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-amine
CID 67183799

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide (CID 69301468) is N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide is O=S(=O)(NC1C2CCC1Cc1cc(-c3cccc(F)c3)ccc1C2)c1ccccc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide?
The InChIKey is MDSSTPHRXHJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO2S/c26-23-6-4-5-17(16-23)18-9-10-19-13-20-11-12-21(15-22(19)14-18)25(20)27-30(28,29)24-7-2-1-3-8-24/h1-10,14,16,20-21,25,27H,11-13,15H2.
What are the key properties of N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide?
N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide has a molecular weight of 421.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]benzenesulfonamide is sourced from PubChem (CID 69301468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).