4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide

C23H33NO3S — CID 11774058

IUPAC4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide
SMILESCCCCCC[C@H](CCOCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H33NO3S/c1-3-4-5-9-12-22(17-18-27-19-21-10-7-6-8-11-21)24-28(25,26)23-15-13-20(2)14-16-23/h6-8,10-11,13-16,22,24H,3-5,9,12,17-19H2,1-2H3/t22-/m1/s1
InChIKeyVLGSCEAHHSNXKI-JOCHJYFZSA-N
MW403.59 g/mol
LogP5.22
Rot. Bonds13

About 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide

4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide (PubChem CID 11774058) has the molecular formula C23H33NO3S and a molecular weight of 403.59 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide
PubChem CID11774058
Molecular FormulaC23H33NO3S
Molecular Weight403.59 g/mol
Exact Mass403.22
IUPAC Name4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide
SMILESCCCCCC[C@H](CCOCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H33NO3S/c1-3-4-5-9-12-22(17-18-27-19-21-10-7-6-8-11-21)24-28(25,26)23-15-13-20(2)14-16-23/h6-8,10-11,13-16,22,24H,3-5,9,12,17-19H2,1-2H3/t22-/m1/s1
InChIKeyVLGSCEAHHSNXKI-JOCHJYFZSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-P-Tosylglycine benzyl ester
CID 273360
2-(Decylsulfonylamino)octyl 3-phenylmethoxypropane-1-sulfonate
CID 44270038
1-(4-Methylphenyl)sulfonyl-2-(phenylmethoxymethyl)aziridine
CID 15446301
O-ethyl 4-(ethylsulfamoyl)benzenecarbothioate
CID 312248
O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
CID 312249
N-[2-(benzyloxy)ethyl]benzenesulfonamide
CID 555308
4-methyl-N-[[(2S,3S)-2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]benzenesulfonamide
CID 122230317
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylbenzenesulfonamide
CID 2877826
[2-[(4-Methylphenyl)sulfonylamino]-1-phenylethyl] acetate
CID 3119015
4-methyl-N-[(2R,3R)-2-methyl-1-phenylmethoxyheptan-3-yl]benzenesulfonamide
CID 11486083
N-[(2R,3S)-5-hydroxy-2-methyl-1-phenylmethoxypentan-3-yl]-4-methylbenzenesulfonamide
CID 135050564
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 10902825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide (CID 11774058) is 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide is CCCCCC[C@H](CCOCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide?
The InChIKey is VLGSCEAHHSNXKI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33NO3S/c1-3-4-5-9-12-22(17-18-27-19-21-10-7-6-8-11-21)24-28(25,26)23-15-13-20(2)14-16-23/h6-8,10-11,13-16,22,24H,3-5,9,12,17-19H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide?
4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide has a molecular weight of 403.59 g/mol, XLogP of 5.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-1-phenylmethoxynonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 11774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).