4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide

C20H28N2O5S2 — CID 1099239

IUPAC4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2O5S2/c1-5-21(6-2)28(23,24)19-13-9-17(10-14-19)27-18-11-15-20(16-12-18)29(25,26)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyNKYSCFSNEBARFK-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.54
Rot. Bonds10

About 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide

4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide (PubChem CID 1099239) has the molecular formula C20H28N2O5S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
PubChem CID1099239
Molecular FormulaC20H28N2O5S2
Molecular Weight440.59 g/mol
Exact Mass440.14
IUPAC Name4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C20H28N2O5S2/c1-5-21(6-2)28(23,24)19-13-9-17(10-14-19)27-18-11-15-20(16-12-18)29(25,26)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyNKYSCFSNEBARFK-UHFFFAOYSA-N
XLogP3.54
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide (CID 1099239) is 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide?
The InChIKey is NKYSCFSNEBARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S2/c1-5-21(6-2)28(23,24)19-13-9-17(10-14-19)27-18-11-15-20(16-12-18)29(25,26)22(7-3)8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide?
4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide has a molecular weight of 440.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylsulfamoyl)phenoxy]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 1099239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).