N-ethoxy-2,5-dimethoxybenzenesulfonamide

C10H15NO5S — CID 60700414

IUPACN-ethoxy-2,5-dimethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO5S/c1-4-16-11-17(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3
InChIKeyHTFSHDZHKZTMOK-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.93
Rot. Bonds6

About N-ethoxy-2,5-dimethoxybenzenesulfonamide

N-ethoxy-2,5-dimethoxybenzenesulfonamide (PubChem CID 60700414) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethoxy-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethoxy-2,5-dimethoxybenzenesulfonamide
PubChem CID60700414
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC NameN-ethoxy-2,5-dimethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H15NO5S/c1-4-16-11-17(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3
InChIKeyHTFSHDZHKZTMOK-UHFFFAOYSA-N
XLogP0.93
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxy-2,5-dimethoxybenzenesulfonamide 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

ethyl 2,5-dimethoxybenzenesulfonate
CID 164678093
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-ethoxy-2,5-dimethoxybenzenesulfonamide (CID 60700414) is N-ethoxy-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-ethoxy-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-ethoxy-2,5-dimethoxybenzenesulfonamide is CCONS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of N-ethoxy-2,5-dimethoxybenzenesulfonamide?
The InChIKey is HTFSHDZHKZTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-4-16-11-17(12,13)10-7-8(14-2)5-6-9(10)15-3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethoxy-2,5-dimethoxybenzenesulfonamide?
N-ethoxy-2,5-dimethoxybenzenesulfonamide has a molecular weight of 261.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 60700414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).