4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide

C13H21NO3S — CID 2200496

IUPAC4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-13(2,3)11-5-7-12(8-6-11)18(15,16)14-9-10-17-4/h5-8,14H,9-10H2,1-4H3
InChIKeyPKIZMOZAMQCGLU-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.91
Rot. Bonds5

About 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide

4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 2200496) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID2200496
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-13(2,3)11-5-7-12(8-6-11)18(15,16)14-9-10-17-4/h5-8,14H,9-10H2,1-4H3
InChIKeyPKIZMOZAMQCGLU-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.91
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 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide (CID 2200496) is 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is PKIZMOZAMQCGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-13(2,3)11-5-7-12(8-6-11)18(15,16)14-9-10-17-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide?
4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2200496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).