4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide

C19H25NO3S — CID 56941566

IUPAC4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-20(18-13-16(21)10-7-14(18)2)24(22,23)17-11-8-15(9-12-17)19(3,4)5/h7-13,21H,6H2,1-5H3
InChIKeyIEMTVKNBLLIQNP-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.21
Rot. Bonds4

About 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide

4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide (PubChem CID 56941566) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
PubChem CID56941566
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-20(18-13-16(21)10-7-14(18)2)24(22,23)17-11-8-15(9-12-17)19(3,4)5/h7-13,21H,6H2,1-5H3
InChIKeyIEMTVKNBLLIQNP-UHFFFAOYSA-N
XLogP4.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide (CID 56941566) is 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide is CCN(c1cc(O)ccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is IEMTVKNBLLIQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-6-20(18-13-16(21)10-7-14(18)2)24(22,23)17-11-8-15(9-12-17)19(3,4)5/h7-13,21H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide?
4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 56941566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).