N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide

C24H21F2NO2S — CID 10071061

IUPACN-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide
SMILESCC(=C1c2ccc(F)cc2CCc2cc(F)ccc21)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H21F2NO2S/c1-15(16-4-3-5-21(14-16)27-30(2,28)29)24-22-10-8-19(25)12-17(22)6-7-18-13-20(26)9-11-23(18)24/h3-5,8-14,27H,6-7H2,1-2H3
InChIKeyRKBXWWGCCGVZHD-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.41
Rot. Bonds3

About N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide

N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide (PubChem CID 10071061) has the molecular formula C24H21F2NO2S and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide
PubChem CID10071061
Molecular FormulaC24H21F2NO2S
Molecular Weight425.50 g/mol
Exact Mass425.13
IUPAC NameN-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide
SMILESCC(=C1c2ccc(F)cc2CCc2cc(F)ccc21)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H21F2NO2S/c1-15(16-4-3-5-21(14-16)27-30(2,28)29)24-22-10-8-19(25)12-17(22)6-7-18-13-20(26)9-11-23(18)24/h3-5,8-14,27H,6-7H2,1-2H3
InChIKeyRKBXWWGCCGVZHD-UHFFFAOYSA-N
XLogP5.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.41
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'}

Analyze N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-phenyl]-methanesulfonamide
CID 59770003
N-(3,4-dimethylphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 15547867
N-(2,3-dimethylphenyl)-1-phenylmethanesulfonamide
CID 871238
N-(1-Naphthyl)methanesulfonamide
CID 706829
1,1,1-trifluoro-N-[5-[(E)-styryl]-2-naphthyl]methanesulfonamide
CID 6479593
1,1,1-trifluoro-N-[5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]naphthalen-2-yl]methanesulfonamide
CID 11316755
3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-phenylamine
CID 59769897
N-[4-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-phenyl]-methanesulfonamide
CID 59770543
N-[4'-(trifluoromethyl)-3-biphenylyl]methanesulfonamide
CID 11232296
N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide
CID 76328818
N-[4-[(Z)-1,2-diphenyloct-1-enyl]phenyl]methanesulfonamide
CID 11212674
N-[4-[(Z)-1,2-diphenylhex-1-enyl]phenyl]methanesulfonamide
CID 76316305

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide (CID 10071061) is N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide is CC(=C1c2ccc(F)cc2CCc2cc(F)ccc21)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The InChIKey is RKBXWWGCCGVZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO2S/c1-15(16-4-3-5-21(14-16)27-30(2,28)29)24-22-10-8-19(25)12-17(22)6-7-18-13-20(26)9-11-23(18)24/h3-5,8-14,27H,6-7H2,1-2H3.
What are the key properties of N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide?
N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide has a molecular weight of 425.50 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10071061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).