N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide

C13H21NO4S — CID 35291236

IUPACN-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO4S/c1-5-6-7-14-19(15,16)13-9-12(18-4)11(17-3)8-10(13)2/h8-9,14H,5-7H2,1-4H3
InChIKeyZZSRVQUJVOHMBN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.09
Rot. Bonds7

About N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide

N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 35291236) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID35291236
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO4S/c1-5-6-7-14-19(15,16)13-9-12(18-4)11(17-3)8-10(13)2/h8-9,14H,5-7H2,1-4H3
InChIKeyZZSRVQUJVOHMBN-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 35291236) is N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide is CCCCNS(=O)(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is ZZSRVQUJVOHMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-6-7-14-19(15,16)13-9-12(18-4)11(17-3)8-10(13)2/h8-9,14H,5-7H2,1-4H3.
What are the key properties of N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 35291236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).