N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide

C24H21F2NO2S — CID 142906564

IUPACN-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CC2c3ccccc3C3C(c4ccccc42)C3(F)F)c1
InChIInChI=1S/C24H21F2NO2S/c1-30(28,29)27-16-8-6-7-15(13-16)14-21-17-9-2-4-11-19(17)22-23(24(22,25)26)20-12-5-3-10-18(20)21/h2-13,21-23,27H,14H2,1H3
InChIKeyLLWWGQMNGJQSFG-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.26
Rot. Bonds4

About N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide

N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide (PubChem CID 142906564) has the molecular formula C24H21F2NO2S and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
PubChem CID142906564
Molecular FormulaC24H21F2NO2S
Molecular Weight425.50 g/mol
Exact Mass425.13
IUPAC NameN-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CC2c3ccccc3C3C(c4ccccc42)C3(F)F)c1
InChIInChI=1S/C24H21F2NO2S/c1-30(28,29)27-16-8-6-7-15(13-16)14-21-17-9-2-4-11-19(17)22-23(24(22,25)26)20-12-5-3-10-18(20)21/h2-13,21-23,27H,14H2,1H3
InChIKeyLLWWGQMNGJQSFG-UHFFFAOYSA-N
XLogP5.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide (CID 142906564) is N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CC2c3ccccc3C3C(c4ccccc42)C3(F)F)c1.
What is the InChIKey of N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The InChIKey is LLWWGQMNGJQSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO2S/c1-30(28,29)27-16-8-6-7-15(13-16)14-21-17-9-2-4-11-19(17)22-23(24(22,25)26)20-12-5-3-10-18(20)21/h2-13,21-23,27H,14H2,1H3.
What are the key properties of N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide has a molecular weight of 425.50 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 142906564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).