4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C18H22N2O6S2 — CID 1085685

IUPAC4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-2-26-16-5-9-17(10-6-16)27(21,22)19-15-3-7-18(8-4-15)28(23,24)20-11-13-25-14-12-20/h3-10,19H,2,11-14H2,1H3
InChIKeyXRXBULBFZIXDEG-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.91
Rot. Bonds7

About 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1085685) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1085685
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC Name4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-2-26-16-5-9-17(10-6-16)27(21,22)19-15-3-7-18(8-4-15)28(23,24)20-11-13-25-14-12-20/h3-10,19H,2,11-14H2,1H3
InChIKeyXRXBULBFZIXDEG-UHFFFAOYSA-N
XLogP1.91
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 1085685) is 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is XRXBULBFZIXDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-2-26-16-5-9-17(10-6-16)27(21,22)19-15-3-7-18(8-4-15)28(23,24)20-11-13-25-14-12-20/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 426.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).