4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C17H21NO3S — CID 838083

IUPAC4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O
InChIInChI=1S/C17H21NO3S/c1-12-5-8-14(11-16(12)19)18-22(20,21)15-9-6-13(7-10-15)17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyOQELNTUKTOTURB-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.80
Rot. Bonds3

About 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 838083) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID838083
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O
InChIInChI=1S/C17H21NO3S/c1-12-5-8-14(11-16(12)19)18-22(20,21)15-9-6-13(7-10-15)17(2,3)4/h5-11,18-19H,1-4H3
InChIKeyOQELNTUKTOTURB-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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 838083) is 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is OQELNTUKTOTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-5-8-14(11-16(12)19)18-22(20,21)15-9-6-13(7-10-15)17(2,3)4/h5-11,18-19H,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
4-tert-butyl-N-(3-hydroxy-4-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-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 838083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).