N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide

C22H21NO2S — CID 5250776

IUPACN-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-26(25,21-4-2-1-3-5-21)23-22-16-19-11-10-17-6-8-18(9-7-17)12-14-20(22)15-13-19/h1-9,13,15-16,23H,10-12,14H2
InChIKeyVBUNTWGPIMFNTD-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.37
Rot. Bonds3

About N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide

N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide (PubChem CID 5250776) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide
PubChem CID5250776
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-26(25,21-4-2-1-3-5-21)23-22-16-19-11-10-17-6-8-18(9-7-17)12-14-20(22)15-13-19/h1-9,13,15-16,23H,10-12,14H2
InChIKeyVBUNTWGPIMFNTD-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide?
The IUPAC name of N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide (CID 5250776) is N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide.
What is the SMILES notation for N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide?
The canonical SMILES for N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide is O=S(=O)(Nc1cc2ccc1CCc1ccc(cc1)CC2)c1ccccc1.
What is the InChIKey of N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide?
The InChIKey is VBUNTWGPIMFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-26(25,21-4-2-1-3-5-21)23-22-16-19-11-10-17-6-8-18(9-7-17)12-14-20(22)15-13-19/h1-9,13,15-16,23H,10-12,14H2.
What are the key properties of N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide?
N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzenesulfonamide is sourced from PubChem (CID 5250776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).