4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide

C11H18N2O5S2 — CID 63246113

IUPAC4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C11H18N2O5S2/c1-3-18-6-7-19(14,15)13-10-4-5-11(9(2)8-10)20(12,16)17/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16,17)
InChIKeyBOPGMKYNPUZVCC-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.42
Rot. Bonds7

About 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide

4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide (PubChem CID 63246113) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
PubChem CID63246113
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C11H18N2O5S2/c1-3-18-6-7-19(14,15)13-10-4-5-11(9(2)8-10)20(12,16)17/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16,17)
InChIKeyBOPGMKYNPUZVCC-UHFFFAOYSA-N
XLogP0.42
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79592852
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
CID 106912887
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide (CID 63246113) is 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide is CCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide?
The InChIKey is BOPGMKYNPUZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-3-18-6-7-19(14,15)13-10-4-5-11(9(2)8-10)20(12,16)17/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,16,17).
What are the key properties of 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide?
4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 63246113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).