N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide

C12H20N2O3S — CID 55173913

IUPACN-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-17-5-6-18(15,16)14-12-8-10(3)9(2)7-11(12)13/h7-8,14H,4-6,13H2,1-3H3
InChIKeyLXERVXWPNTWPLH-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.66
Rot. Bonds6

About N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide

N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide (PubChem CID 55173913) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
PubChem CID55173913
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C12H20N2O3S/c1-4-17-5-6-18(15,16)14-12-8-10(3)9(2)7-11(12)13/h7-8,14H,4-6,13H2,1-3H3
InChIKeyLXERVXWPNTWPLH-UHFFFAOYSA-N
XLogP1.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
2-ethoxy-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]ethanesulfonamide
CID 63246443
4-(2-ethoxyethylsulfonyl)-2-methylaniline
CID 81181513
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
CID 113438985
1-amino-4,5-dimethyl-2-(sulfamoylamino)benzene
CID 114958706
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide (CID 55173913) is N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1cc(C)c(C)cc1N.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide?
The InChIKey is LXERVXWPNTWPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-5-6-18(15,16)14-12-8-10(3)9(2)7-11(12)13/h7-8,14H,4-6,13H2,1-3H3.
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide?
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 55173913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).