2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide

C15H25NO5S — CID 46633637

IUPAC2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCOCC(C)C)c1
InChIInChI=1S/C15H25NO5S/c1-12(2)11-21-9-5-8-16-22(17,18)15-10-13(19-3)6-7-14(15)20-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyYFUBSAPSYFSBNP-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.04
Rot. Bonds10

About 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide

2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide (PubChem CID 46633637) has the molecular formula C15H25NO5S and a molecular weight of 331.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
PubChem CID46633637
Molecular FormulaC15H25NO5S
Molecular Weight331.43 g/mol
Exact Mass331.15
IUPAC Name2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCOCC(C)C)c1
InChIInChI=1S/C15H25NO5S/c1-12(2)11-21-9-5-8-16-22(17,18)15-10-13(19-3)6-7-14(15)20-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyYFUBSAPSYFSBNP-UHFFFAOYSA-N
XLogP2.04
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
2,5-dimethyl-N-[3-(2-methylpropoxy)propyl]thiophene-3-sulfonamide
CID 38256658
2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide (CID 46633637) is 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCOCC(C)C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide?
The InChIKey is YFUBSAPSYFSBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5S/c1-12(2)11-21-9-5-8-16-22(17,18)15-10-13(19-3)6-7-14(15)20-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide has a molecular weight of 331.43 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 46633637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).