N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide

C23H33NO2S — CID 102421341

IUPACN,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
SMILESCCCCCCC(C)C(c1ccccc1)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H33NO2S/c1-5-6-7-9-12-20(3)23(21-13-10-8-11-14-21)24(4)27(25,26)22-17-15-19(2)16-18-22/h8,10-11,13-18,20,23H,5-7,9,12H2,1-4H3
InChIKeyMRYZCPZRQHFRCQ-UHFFFAOYSA-N
MW387.59 g/mol
LogP5.96
Rot. Bonds10

About N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide

N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide (PubChem CID 102421341) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
PubChem CID102421341
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC NameN,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
SMILESCCCCCCC(C)C(c1ccccc1)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H33NO2S/c1-5-6-7-9-12-20(3)23(21-13-10-8-11-14-21)24(4)27(25,26)22-17-15-19(2)16-18-22/h8,10-11,13-18,20,23H,5-7,9,12H2,1-4H3
InChIKeyMRYZCPZRQHFRCQ-UHFFFAOYSA-N
XLogP5.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
CID 177370389
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
1-[(2R)-heptan-2-yl]sulfonyl-4-methylbenzene
CID 132821411
N-[(2S)-2-hydroxyoctyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methylbenzenesulfonamide
CID 101366737
dodecyl(triphenyl)phosphanium;4-methylbenzenesulfonate
CID 19831349
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
dimethyl-octadecyl-(1-phenylethyl)azanium;4-methylbenzenesulfonate
CID 21125209
N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 46210780
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-methyl-4-[(2S)-tetradecan-2-yl]sulfanylsulfonylbenzene
CID 97299569

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide (CID 102421341) is N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide is CCCCCCC(C)C(c1ccccc1)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide?
The InChIKey is MRYZCPZRQHFRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-5-6-7-9-12-20(3)23(21-13-10-8-11-14-21)24(4)27(25,26)22-17-15-19(2)16-18-22/h8,10-11,13-18,20,23H,5-7,9,12H2,1-4H3.
What are the key properties of N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide?
N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide has a molecular weight of 387.59 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide is sourced from PubChem (CID 102421341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).