2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide

C14H23NO5S — CID 4987407

IUPAC2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO5S/c1-4-9-20-10-5-8-15-21(16,17)14-11-12(18-2)6-7-13(14)19-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyJBGKLLLCYFHQTH-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.80
Rot. Bonds10

About 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide

2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 4987407) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID4987407
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO5S/c1-4-9-20-10-5-8-15-21(16,17)14-11-12(18-2)6-7-13(14)19-3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyJBGKLLLCYFHQTH-UHFFFAOYSA-N
XLogP1.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.80
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-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
5-amino-4-bromo-2-methoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941189
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,5-dimethoxybenzenesulfonamide
CID 19681035

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide (CID 4987407) is 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is JBGKLLLCYFHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-4-9-20-10-5-8-15-21(16,17)14-11-12(18-2)6-7-13(14)19-3/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide?
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.80, 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-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 4987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).