2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide

C10H14ClN3O3S — CID 61053217

IUPAC2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-3-14(7-10(15)12-2)18(16,17)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15)
InChIKeyOBJMLYVNUUJJTC-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.49
Rot. Bonds5

About 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide

2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 61053217) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID61053217
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-3-14(7-10(15)12-2)18(16,17)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15)
InChIKeyOBJMLYVNUUJJTC-UHFFFAOYSA-N
XLogP0.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.49
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-methylacetamide
CID 64608953
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
2-chloro-N-(cyclopropylmethyl)-N-ethylpyridine-4-sulfonamide
CID 63957203
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
N-ethyl-2-(methylamino)-N-propylpyridine-4-sulfonamide
CID 62144437
2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
CID 54896063
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide (CID 61053217) is 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is OBJMLYVNUUJJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-3-14(7-10(15)12-2)18(16,17)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15).
What are the key properties of 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 291.76 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 61053217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).