N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide

C24H23NO3S — CID 59770130

IUPACN-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(CO)=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C24H23NO3S/c1-29(27,28)25-20-10-6-9-19(15-20)23(16-26)24-21-11-4-2-7-17(21)13-14-18-8-3-5-12-22(18)24/h2-12,15,25-26H,13-14,16H2,1H3
InChIKeyILGPYKGHZKDNNJ-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.11
Rot. Bonds4

About N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide

N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide (PubChem CID 59770130) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide
PubChem CID59770130
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(CO)=C2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C24H23NO3S/c1-29(27,28)25-20-10-6-9-19(15-20)23(16-26)24-21-11-4-2-7-17(21)13-14-18-8-3-5-12-22(18)24/h2-12,15,25-26H,13-14,16H2,1H3
InChIKeyILGPYKGHZKDNNJ-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(1Z)-1-[6-(cyclopropylmethoxy)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]phenyl]methanesulfonamide
CID 59770317
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-[3-[(1E)-1-(8-chloro-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]phenyl]methanesulfonamide;hydrochloride
CID 24759978
N-[3-[1-(3-butoxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]phenyl]methanesulfonamide
CID 72557024
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
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-[(1E)-1-[3-(cyclopropylmethoxy)-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]phenyl]methanesulfonamide
CID 10434442
methyl (2Z)-2-[[3-(methanesulfonamido)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 59770086
methyl 2-[[3-(methanesulfonamido)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 72556989
3-[(1E)-1-(8-chloro-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]aniline;N-[3-[(1E)-1-(8-chloro-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]phenyl]methanesulfonamide
CID 160634702

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide (CID 59770130) is N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(CO)=C2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide?
The InChIKey is ILGPYKGHZKDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-29(27,28)25-20-10-6-9-19(15-20)23(16-26)24-21-11-4-2-7-17(21)13-14-18-8-3-5-12-22(18)24/h2-12,15,25-26H,13-14,16H2,1H3.
What are the key properties of N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide?
N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59770130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).