2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide

C12H17Cl2N3O3S — CID 64608778

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-4-17(5-2)11(18)8-16(3)21(19,20)9-6-10(13)12(14)15-7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyWKVXHDYDJWNIAD-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.88
Rot. Bonds6

About 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide

2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide (PubChem CID 64608778) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
PubChem CID64608778
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-4-17(5-2)11(18)8-16(3)21(19,20)9-6-10(13)12(14)15-7-9/h6-7H,4-5,8H2,1-3H3
InChIKeyWKVXHDYDJWNIAD-UHFFFAOYSA-N
XLogP1.88
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608229
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide (CID 64608778) is 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The InChIKey is WKVXHDYDJWNIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-4-17(5-2)11(18)8-16(3)21(19,20)9-6-10(13)12(14)15-7-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide?
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide has a molecular weight of 354.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 64608778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).