2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

C13H18Cl2N4O4S — CID 110305451

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C13H18Cl2N4O4S/c14-11-7-10(8-17-13(11)15)24(21,22)18-9-12(20)16-1-2-19-3-5-23-6-4-19/h7-8,18H,1-6,9H2,(H,16,20)
InChIKeyUCDVMYUJABCROG-UHFFFAOYSA-N
MW397.28 g/mol
LogP0.12
Rot. Bonds7

About 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 110305451) has the molecular formula C13H18Cl2N4O4S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID110305451
Molecular FormulaC13H18Cl2N4O4S
Molecular Weight397.28 g/mol
Exact Mass396.04
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C13H18Cl2N4O4S/c14-11-7-10(8-17-13(11)15)24(21,22)18-9-12(20)16-1-2-19-3-5-23-6-4-19/h7-8,18H,1-6,9H2,(H,16,20)
InChIKeyUCDVMYUJABCROG-UHFFFAOYSA-N
XLogP0.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
CID 64608502
N-(2-morpholin-4-ylethyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110285252
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-phenylacetamide
CID 110304512
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
2-[(2-ethylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 20842918

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 110305451) is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is O=C(CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)NCCN1CCOCC1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is UCDVMYUJABCROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4O4S/c14-11-7-10(8-17-13(11)15)24(21,22)18-9-12(20)16-1-2-19-3-5-23-6-4-19/h7-8,18H,1-6,9H2,(H,16,20).
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 397.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 110305451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).