3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide

C19H25NO5S — CID 110409185

IUPAC3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
SMILESCOc1ccccc1CCCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO5S/c1-23-17-10-5-4-8-15(17)9-6-7-13-20-26(21,22)16-11-12-18(24-2)19(14-16)25-3/h4-5,8,10-12,14,20H,6-7,9,13H2,1-3H3
InChIKeyXMBKHSPAWIJQEA-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.01
Rot. Bonds10

About 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide (PubChem CID 110409185) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
PubChem CID110409185
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
SMILESCOc1ccccc1CCCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H25NO5S/c1-23-17-10-5-4-8-15(17)9-6-7-13-20-26(21,22)16-11-12-18(24-2)19(14-16)25-3/h4-5,8,10-12,14,20H,6-7,9,13H2,1-3H3
InChIKeyXMBKHSPAWIJQEA-UHFFFAOYSA-N
XLogP3.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.01
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

N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
CID 9263864
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
CID 9246232
N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
CID 110408740
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
N-[3-(2-methoxyphenyl)propyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99955331
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide (CID 110409185) is 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide is COc1ccccc1CCCCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide?
The InChIKey is XMBKHSPAWIJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-23-17-10-5-4-8-15(17)9-6-7-13-20-26(21,22)16-11-12-18(24-2)19(14-16)25-3/h4-5,8,10-12,14,20H,6-7,9,13H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide?
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide is sourced from PubChem (CID 110409185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).