N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide

C12H20N2O2S — CID 54973592

IUPACN-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-4-13-7-8-17(15,16)14-12-6-5-10(2)11(3)9-12/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyUWLNDSIEKONCMM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.65
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide

N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 54973592) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
PubChem CID54973592
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2O2S/c1-4-13-7-8-17(15,16)14-12-6-5-10(2)11(3)9-12/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyUWLNDSIEKONCMM-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.65
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-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(2,6-dichloro-3-methylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973635
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide (CID 54973592) is N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is UWLNDSIEKONCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-13-7-8-17(15,16)14-12-6-5-10(2)11(3)9-12/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide?
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54973592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).