2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide

C14H23NO3S — CID 110759544

IUPAC2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)6-7-15-19(16,17)14-12(4)8-11(3)9-13(14)18-5/h8-10,15H,6-7H2,1-5H3
InChIKeyAEVGXUJRHSDQCL-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.64
Rot. Bonds6

About 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide

2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 110759544) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID110759544
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C14H23NO3S/c1-10(2)6-7-15-19(16,17)14-12(4)8-11(3)9-13(14)18-5/h8-10,15H,6-7H2,1-5H3
InChIKeyAEVGXUJRHSDQCL-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120706699
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-(2-amino-2-methylpropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120711475
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
(2R)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026814
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
(2S)-2-[(2-methoxy-4,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 98026813
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 110759544) is 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide is COc1cc(C)cc(C)c1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is AEVGXUJRHSDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)6-7-15-19(16,17)14-12(4)8-11(3)9-13(14)18-5/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 110759544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).