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

C24H34N4O7S2 — CID 2908203

IUPACN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H34N4O7S2/c29-36(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)35-22-3-7-24(8-4-22)37(31,32)26-10-12-28-15-19-34-20-16-28/h1-8,25-26H,9-20H2
InChIKeyVXSDRJHXMOIARJ-UHFFFAOYSA-N
MW554.69 g/mol
LogP0.70
Rot. Bonds12

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

N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide (PubChem CID 2908203) has the molecular formula C24H34N4O7S2 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
PubChem CID2908203
Molecular FormulaC24H34N4O7S2
Molecular Weight554.69 g/mol
Exact Mass554.19
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H34N4O7S2/c29-36(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)35-22-3-7-24(8-4-22)37(31,32)26-10-12-28-15-19-34-20-16-28/h1-8,25-26H,9-20H2
InChIKeyVXSDRJHXMOIARJ-UHFFFAOYSA-N
XLogP0.70
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
4-[2-[4-[4-(2-morpholin-4-ylethylsulfonyl)phenoxy]phenyl]sulfonylethyl]morpholine
CID 1099236
4-(2-morpholin-4-ylethylsulfamoyl)-N-propan-2-ylbenzamide
CID 109058127
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide (CID 2908203) is N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide?
The InChIKey is VXSDRJHXMOIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7S2/c29-36(30,25-9-11-27-13-17-33-18-14-27)23-5-1-21(2-6-23)35-22-3-7-24(8-4-22)37(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)phenoxy]benzenesulfonamide?
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide has a molecular weight of 554.69 g/mol, XLogP of 0.70, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 2908203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).