4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide

C16H19NO3S — CID 846945

IUPAC4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)12-4-10-15(11-5-12)21(19,20)17-13-6-8-14(18)9-7-13/h4-11,17-18H,1-3H3
InChIKeyIKOGGLYESDINJP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.49
Rot. Bonds3

About 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide

4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 846945) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID846945
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-16(2,3)12-4-10-15(11-5-12)21(19,20)17-13-6-8-14(18)9-7-13/h4-11,17-18H,1-3H3
InChIKeyIKOGGLYESDINJP-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide (CID 846945) is 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is IKOGGLYESDINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(2,3)12-4-10-15(11-5-12)21(19,20)17-13-6-8-14(18)9-7-13/h4-11,17-18H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 846945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).