3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

C25H27N3O4S — CID 55976882

IUPAC3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H27N3O4S/c29-25(26-22-11-9-20(10-12-22)13-14-28-15-17-32-18-16-28)21-5-4-6-23(19-21)27-33(30,31)24-7-2-1-3-8-24/h1-12,19,27H,13-18H2,(H,26,29)
InChIKeyWDKLOBBFVMIZSW-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.61
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (PubChem CID 55976882) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
PubChem CID55976882
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H27N3O4S/c29-25(26-22-11-9-20(10-12-22)13-14-28-15-17-32-18-16-28)21-5-4-6-23(19-21)27-33(30,31)24-7-2-1-3-8-24/h1-12,19,27H,13-18H2,(H,26,29)
InChIKeyWDKLOBBFVMIZSW-UHFFFAOYSA-N
XLogP3.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92646826
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55905919
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92683706
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575104
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
2,5-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-phenylpyrrole-3-carboxamide
CID 55979378

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (CID 55976882) is 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The InChIKey is WDKLOBBFVMIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c29-25(26-22-11-9-20(10-12-22)13-14-28-15-17-32-18-16-28)21-5-4-6-23(19-21)27-33(30,31)24-7-2-1-3-8-24/h1-12,19,27H,13-18H2,(H,26,29).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is sourced from PubChem (CID 55976882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).