4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C19H25NO3S — CID 113099165

IUPAC4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25NO3S/c1-15-6-5-7-17(14-15)23-13-12-20-24(21,22)18-10-8-16(9-11-18)19(2,3)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyWOMPFJODIKDEQR-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.65
Rot. Bonds6

About 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 113099165) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID113099165
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25NO3S/c1-15-6-5-7-17(14-15)23-13-12-20-24(21,22)18-10-8-16(9-11-18)19(2,3)4/h5-11,14,20H,12-13H2,1-4H3
InChIKeyWOMPFJODIKDEQR-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide 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

4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
N-[2-(3-tert-butylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100521
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
2-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitrobenzenesulfonamide
CID 94867300
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 113099165) is 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is Cc1cccc(OCCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is WOMPFJODIKDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-15-6-5-7-17(14-15)23-13-12-20-24(21,22)18-10-8-16(9-11-18)19(2,3)4/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.65, 6 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-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113099165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).