4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide

C23H33NO2S — CID 171485855

IUPAC4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
SMILESCCCCCC(NS(=O)(=O)c1ccc(C)cc1)C(C)CCc1ccccc1
InChIInChI=1S/C23H33NO2S/c1-4-5-7-12-23(20(3)15-16-21-10-8-6-9-11-21)24-27(25,26)22-17-13-19(2)14-18-22/h6,8-11,13-14,17-18,20,23-24H,4-5,7,12,15-16H2,1-3H3
InChIKeyBBBJVCMOVCFGOY-UHFFFAOYSA-N
MW387.59 g/mol
LogP5.49
Rot. Bonds11

About 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide

4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide (PubChem CID 171485855) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
PubChem CID171485855
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC Name4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
SMILESCCCCCC(NS(=O)(=O)c1ccc(C)cc1)C(C)CCc1ccccc1
InChIInChI=1S/C23H33NO2S/c1-4-5-7-12-23(20(3)15-16-21-10-8-6-9-11-21)24-27(25,26)22-17-13-19(2)14-18-22/h6,8-11,13-14,17-18,20,23-24H,4-5,7,12,15-16H2,1-3H3
InChIKeyBBBJVCMOVCFGOY-UHFFFAOYSA-N
XLogP5.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
4-methyl-N-[(3R,4R)-3-(phenylmethoxymethyl)octan-4-yl]benzenesulfonamide
CID 11361692
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
1-phenylnonan-3-yl 4-methylbenzenesulfonate
CID 102579400
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
ethyl 2-ethylidene-3-[(4-methylphenyl)sulfonylamino]-5-phenylpentanoate
CID 156772253
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide (CID 171485855) is 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide is CCCCCC(NS(=O)(=O)c1ccc(C)cc1)C(C)CCc1ccccc1.
What is the InChIKey of 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide?
The InChIKey is BBBJVCMOVCFGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-4-5-7-12-23(20(3)15-16-21-10-8-6-9-11-21)24-27(25,26)22-17-13-19(2)14-18-22/h6,8-11,13-14,17-18,20,23-24H,4-5,7,12,15-16H2,1-3H3.
What are the key properties of 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide?
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide has a molecular weight of 387.59 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide is sourced from PubChem (CID 171485855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).