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

C17H21NO3S — CID 11976154

IUPAC4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H21NO3S/c1-12-5-10-16(19)15(11-12)18-22(20,21)14-8-6-13(7-9-14)17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyAUXKLBYDMHPMOV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.80
Rot. Bonds3

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

4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide (PubChem CID 11976154) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
PubChem CID11976154
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(O)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H21NO3S/c1-12-5-10-16(19)15(11-12)18-22(20,21)14-8-6-13(7-9-14)17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyAUXKLBYDMHPMOV-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Bis(3-amino-4-hydroxylphenyl)propane
CID 223319
N-(2-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 12936671
4-(2,4-difluorophenyl)-N-[2-hydroxy-5-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098359
N-(2-hydroxyphenyl)-4-biphenylsulfonamide
CID 893823
4-tert-butyl-N-(5-chloro-2-hydroxyphenyl)benzene-1-sulfonamide
CID 830710
N-(4-hydroxyphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 1099250
4-tert-butyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 701308
4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 838083
4-tert-butyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 846945
Benzene sulfonamide derivative 8
CID 894213
4-tert-butyl-N-(2-hydroxyphenyl)benzenesulfonamide
CID 6459034
N-(4-Hydroxyphenyl)-p-toluenesulfonamide
CID 70845

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide (CID 11976154) is 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide is Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide?
The InChIKey is AUXKLBYDMHPMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-5-10-16(19)15(11-12)18-22(20,21)14-8-6-13(7-9-14)17(2,3)4/h5-11,18-19H,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide?
4-tert-butyl-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.80, 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-(2-hydroxy-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 11976154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).