4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C20H28N2O9S2 — CID 3876359

IUPAC4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N(CCO)CCO)cc2)cc1)N(CCO)CCO
InChIInChI=1S/C20H28N2O9S2/c23-13-9-21(10-14-24)32(27,28)19-5-1-17(2-6-19)31-18-3-7-20(8-4-18)33(29,30)22(11-15-25)12-16-26/h1-8,23-26H,9-16H2
InChIKeyZUEQQAXAOZPNTE-UHFFFAOYSA-N
MW504.58 g/mol
LogP-0.57
Rot. Bonds14

About 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 3876359) has the molecular formula C20H28N2O9S2 and a molecular weight of 504.58 g/mol. Its IUPAC name is 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID3876359
Molecular FormulaC20H28N2O9S2
Molecular Weight504.58 g/mol
Exact Mass504.12
IUPAC Name4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N(CCO)CCO)cc2)cc1)N(CCO)CCO
InChIInChI=1S/C20H28N2O9S2/c23-13-9-21(10-14-24)32(27,28)19-5-1-17(2-6-19)31-18-3-7-20(8-4-18)33(29,30)22(11-15-25)12-16-26/h1-8,23-26H,9-16H2
InChIKeyZUEQQAXAOZPNTE-UHFFFAOYSA-N
XLogP-0.57
TPSA164.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 3876359) is 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N(CCO)CCO)cc2)cc1)N(CCO)CCO.
What is the InChIKey of 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZUEQQAXAOZPNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O9S2/c23-13-9-21(10-14-24)32(27,28)19-5-1-17(2-6-19)31-18-3-7-20(8-4-18)33(29,30)22(11-15-25)12-16-26/h1-8,23-26H,9-16H2.
What are the key properties of 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 504.58 g/mol, XLogP of -0.57, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(2-hydroxyethyl)sulfamoyl]phenoxy]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 3876359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).