4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide

C24H23NO2S — CID 7335395

IUPAC4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C24H23NO2S/c1-16-10-12-18(13-11-16)28(26,27)25-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-25H,14-15H2,1H3/t17-,23?,24?/m0/s1
InChIKeyWWSOTWYIPZEDDC-XWFFHEKESA-N
MW389.52 g/mol
LogP4.57
Rot. Bonds4

About 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide

4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide (PubChem CID 7335395) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
PubChem CID7335395
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C24H23NO2S/c1-16-10-12-18(13-11-16)28(26,27)25-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-25H,14-15H2,1H3/t17-,23?,24?/m0/s1
InChIKeyWWSOTWYIPZEDDC-XWFFHEKESA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 24655874
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
N-[[(1R,2R)-2-(chloromethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 23248440
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
CID 4680365
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[(1-chloro-9H-fluoren-9-yl)methyl]-4-methylbenzenesulfonamide
CID 142732070
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 75857687
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
[(15S,16S)-16-[(4-methylphenyl)sulfonyloxymethyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl 4-methylbenzenesulfonate
CID 12556923
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide (CID 7335395) is 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide?
The InChIKey is WWSOTWYIPZEDDC-XWFFHEKESA-N. The full InChI is InChI=1S/C24H23NO2S/c1-16-10-12-18(13-11-16)28(26,27)25-15-17-14-23-19-6-2-4-8-21(19)24(17)22-9-5-3-7-20(22)23/h2-13,17,23-25H,14-15H2,1H3/t17-,23?,24?/m0/s1.
What are the key properties of 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide?
4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 7335395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).