4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

C12H19NO4S — CID 2224391

IUPAC4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOC)cc1C
InChIInChI=1S/C12H19NO4S/c1-4-17-12-6-5-11(9-10(12)2)18(14,15)13-7-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyOHBWMWGCKZAOEC-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.32
Rot. Bonds7

About 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (PubChem CID 2224391) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
PubChem CID2224391
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCOC)cc1C
InChIInChI=1S/C12H19NO4S/c1-4-17-12-6-5-11(9-10(12)2)18(14,15)13-7-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyOHBWMWGCKZAOEC-UHFFFAOYSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2992053
CID 2992053
CID 1811202
CID 1811202
CID 4919367
CID 4919367
CID 2904487
CID 2904487
CID 1718316
CID 1718316
CID 739803
CID 739803
CID 4919376
CID 4919376
CID 847787
CID 847787
CID 850126
CID 850126
CID 934725
CID 934725
CID 2195327
CID 2195327
CID 2211650
CID 2211650

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (CID 2224391) is 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCOC)cc1C.
What is the InChIKey of 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is OHBWMWGCKZAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-4-17-12-6-5-11(9-10(12)2)18(14,15)13-7-8-16-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 2224391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).