2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide

C10H13Cl2N3O3S — CID 64608953

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N3O3S/c1-3-15(6-9(16)13-2)19(17,18)7-4-8(11)10(12)14-5-7/h4-5H,3,6H2,1-2H3,(H,13,16)
InChIKeyKCTKYEGKHBQYJH-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.14
Rot. Bonds5

About 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide

2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 64608953) has the molecular formula C10H13Cl2N3O3S and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID64608953
Molecular FormulaC10H13Cl2N3O3S
Molecular Weight326.21 g/mol
Exact Mass325.01
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N3O3S/c1-3-15(6-9(16)13-2)19(17,18)7-4-8(11)10(12)14-5-7/h4-5H,3,6H2,1-2H3,(H,13,16)
InChIKeyKCTKYEGKHBQYJH-UHFFFAOYSA-N
XLogP1.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 61053217
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide (CID 64608953) is 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is KCTKYEGKHBQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O3S/c1-3-15(6-9(16)13-2)19(17,18)7-4-8(11)10(12)14-5-7/h4-5H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 326.21 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 64608953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).