3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide

C18H23NO5S2 — CID 174560677

IUPAC3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCN(CCCOC)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H23NO5S2/c1-3-19(13-8-14-24-2)26(22,23)18-12-7-11-17(15-18)25(20,21)16-9-5-4-6-10-16/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyOODQKMFJDBNZEB-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.57
Rot. Bonds9

About 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide

3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 174560677) has the molecular formula C18H23NO5S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID174560677
Molecular FormulaC18H23NO5S2
Molecular Weight397.52 g/mol
Exact Mass397.10
IUPAC Name3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCN(CCCOC)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H23NO5S2/c1-3-19(13-8-14-24-2)26(22,23)18-12-7-11-17(15-18)25(20,21)16-9-5-4-6-10-16/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyOODQKMFJDBNZEB-UHFFFAOYSA-N
XLogP2.57
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 174546129
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
3-fluoro-N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 131936762

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide (CID 174560677) is 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide is CCN(CCCOC)S(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is OODQKMFJDBNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S2/c1-3-19(13-8-14-24-2)26(22,23)18-12-7-11-17(15-18)25(20,21)16-9-5-4-6-10-16/h4-7,9-12,15H,3,8,13-14H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide?
3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 174560677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).