N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide

C11H16Cl2N2O2S — CID 54973635

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-14-6-7-18(16,17)15-11-9(12)5-4-8(2)10(11)13/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyHCYOTZOHWRITKY-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.65
Rot. Bonds6

About N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide

N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54973635) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54973635
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-14-6-7-18(16,17)15-11-9(12)5-4-8(2)10(11)13/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyHCYOTZOHWRITKY-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
CID 114260649
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 43258171
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456130
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide (CID 54973635) is N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is HCYOTZOHWRITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-3-14-6-7-18(16,17)15-11-9(12)5-4-8(2)10(11)13/h4-5,14-15H,3,6-7H2,1-2H3.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide?
N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).