3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C23H27N5O4S — CID 68873939

IUPAC3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cnc(Oc2cccc(S(=O)(=O)NCCN3CCOCC3)c2)cc1Nc1ccccc1
InChIInChI=1S/C23H27N5O4S/c24-21-17-25-23(16-22(21)27-18-5-2-1-3-6-18)32-19-7-4-8-20(15-19)33(29,30)26-9-10-28-11-13-31-14-12-28/h1-8,15-17,26H,9-14,24H2,(H,25,27)
InChIKeyRNLYYAAECVSCMF-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.81
Rot. Bonds9

About 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 68873939) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID68873939
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cnc(Oc2cccc(S(=O)(=O)NCCN3CCOCC3)c2)cc1Nc1ccccc1
InChIInChI=1S/C23H27N5O4S/c24-21-17-25-23(16-22(21)27-18-5-2-1-3-6-18)32-19-7-4-8-20(15-19)33(29,30)26-9-10-28-11-13-31-14-12-28/h1-8,15-17,26H,9-14,24H2,(H,25,27)
InChIKeyRNLYYAAECVSCMF-UHFFFAOYSA-N
XLogP2.81
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide with MolForge

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Related Compounds

3-[2-(cyanomethyl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 68875433
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
N-[[3-(morpholine-4-carbonyl)phenyl]methyl]-6-phenoxypyridine-3-sulfonamide
CID 68823912
N-benzyl-4-methyl-3-[[2-[4-(2-pyrrolidin-1-ylethylsulfamoyl)anilino]pyrimidin-5-yl]amino]benzenesulfonamide
CID 24961821

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 68873939) is 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Nc1cnc(Oc2cccc(S(=O)(=O)NCCN3CCOCC3)c2)cc1Nc1ccccc1.
What is the InChIKey of 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is RNLYYAAECVSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c24-21-17-25-23(16-22(21)27-18-5-2-1-3-6-18)32-19-7-4-8-20(15-19)33(29,30)26-9-10-28-11-13-31-14-12-28/h1-8,15-17,26H,9-14,24H2,(H,25,27).
What are the key properties of 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 2.81, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-anilino-2-pyridinyl)oxy]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 68873939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).