2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide

C11H16ClN3O3S — CID 54888765

IUPAC2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O3S/c1-3-15(7-11(16)14-2)19(17,18)10-6-8(12)4-5-9(10)13/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyNQNZIPGUIWHKDB-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.68
Rot. Bonds5

About 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide

2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide (PubChem CID 54888765) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
PubChem CID54888765
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O3S/c1-3-15(7-11(16)14-2)19(17,18)10-6-8(12)4-5-9(10)13/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyNQNZIPGUIWHKDB-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
N-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 4233254
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2239469
N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide (CID 54888765) is 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide?
The InChIKey is NQNZIPGUIWHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-15(7-11(16)14-2)19(17,18)10-6-8(12)4-5-9(10)13/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide?
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide has a molecular weight of 305.79 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 54888765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).