N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide

C24H24FNO2S — CID 70999185

IUPACN-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(c1)CCc1cc(F)ccc1C2Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H24FNO2S/c1-16-6-10-22-18(12-16)7-8-19-15-20(25)9-11-23(19)24(22)14-17-4-3-5-21(13-17)26-29(2,27)28/h3-6,9-13,15,24,26H,7-8,14H2,1-2H3
InChIKeyFONLVVJPZAVXES-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.98
Rot. Bonds4

About N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide

N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide (PubChem CID 70999185) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
PubChem CID70999185
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC NameN-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(c1)CCc1cc(F)ccc1C2Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C24H24FNO2S/c1-16-6-10-22-18(12-16)7-8-19-15-20(25)9-11-23(19)24(22)14-17-4-3-5-21(13-17)26-29(2,27)28/h3-6,9-13,15,24,26H,7-8,14H2,1-2H3
InChIKeyFONLVVJPZAVXES-UHFFFAOYSA-N
XLogP4.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[3-[1-(6-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)propyl]phenyl]methanesulfonamide
CID 70996855
N-[3-[2-[4-[(2-bromo-5-methylphenyl)methyl]piperidin-1-yl]ethyl]phenyl]methanesulfonamide
CID 59105364
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 174728615
3-[[6-[(Z)-3-aminoprop-1-enyl]-7-ethyl-2-fluoro-8,9-dihydro-5H-benzo[7]annulen-5-yl]methyl]-N-methylaniline;ethane;hydroperoxymethane
CID 142906646
N-[3-(3-oxopropyl)phenyl]methanesulfonamide
CID 57444373
N-[3-[(3R)-2-(3-fluorophenyl)sulfonyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 99801351
N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
CID 59770305
N-[3-[(6-methoxy-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)methyl]phenyl]methanesulfonamide
CID 72556948
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
CID 83985427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide (CID 70999185) is N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide is Cc1ccc2c(c1)CCc1cc(F)ccc1C2Cc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
The InChIKey is FONLVVJPZAVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c1-16-6-10-22-18(12-16)7-8-19-15-20(25)9-11-23(19)24(22)14-17-4-3-5-21(13-17)26-29(2,27)28/h3-6,9-13,15,24,26H,7-8,14H2,1-2H3.
What are the key properties of N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide?
N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-fluoro-13-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 70999185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).