N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide

C24H34N4O6S2 — CID 20967100

IUPACN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H34N4O6S2/c29-35(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)36(31,32)26-10-12-28-15-19-34-20-16-28/h1-8,25-26H,9-20H2
InChIKeyXOOOVGQQGNQZNC-UHFFFAOYSA-N
MW538.69 g/mol
LogP0.57
Rot. Bonds11

About N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide

N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 20967100) has the molecular formula C24H34N4O6S2 and a molecular weight of 538.69 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID20967100
Molecular FormulaC24H34N4O6S2
Molecular Weight538.69 g/mol
Exact Mass538.19
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H34N4O6S2/c29-35(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)36(31,32)26-10-12-28-15-19-34-20-16-28/h1-8,25-26H,9-20H2
InChIKeyXOOOVGQQGNQZNC-UHFFFAOYSA-N
XLogP0.57
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.69
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide (CID 20967100) is N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(-c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is XOOOVGQQGNQZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6S2/c29-35(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)36(31,32)26-10-12-28-15-19-34-20-16-28/h1-8,25-26H,9-20H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide?
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 538.69 g/mol, XLogP of 0.57, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 20967100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).