N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

C15H25NO3S — CID 3829332

IUPACN-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H25NO3S/c1-5-15(3,4)13-7-9-14(10-8-13)20(17,18)16-11-12-19-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyWSTKNYOXHJBFCL-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.69
Rot. Bonds8

About N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide

N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 3829332) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID3829332
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C15H25NO3S/c1-5-15(3,4)13-7-9-14(10-8-13)20(17,18)16-11-12-19-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyWSTKNYOXHJBFCL-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 3829332) is N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is CCOCCNS(=O)(=O)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is WSTKNYOXHJBFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-15(3,4)13-7-9-14(10-8-13)20(17,18)16-11-12-19-6-2/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3829332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).