4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide

C13H21NO5S — CID 665445

IUPAC4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO5S/c1-17-10-8-14(9-11-18-2)20(15,16)13-6-4-12(19-3)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyIGYSTBJKKCGQAZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.98
Rot. Bonds9

About 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide

4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide (PubChem CID 665445) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide
PubChem CID665445
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO5S/c1-17-10-8-14(9-11-18-2)20(15,16)13-6-4-12(19-3)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyIGYSTBJKKCGQAZ-UHFFFAOYSA-N
XLogP0.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide (CID 665445) is 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide is COCCN(CCOC)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide?
The InChIKey is IGYSTBJKKCGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-17-10-8-14(9-11-18-2)20(15,16)13-6-4-12(19-3)5-7-13/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide?
4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 665445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).