4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide

C15H25NO3S — CID 115362965

IUPAC4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)12-6-8-13(9-7-12)20(18,19)16-10-15(4,5)11-17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyDMPARIKBVMJGMK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.28
Rot. Bonds5

About 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide

4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide (PubChem CID 115362965) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
PubChem CID115362965
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
SMILESCC(C)(CO)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)12-6-8-13(9-7-12)20(18,19)16-10-15(4,5)11-17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyDMPARIKBVMJGMK-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-4-methylbenzenesulfonamide
CID 5174849
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
(E)-3-[4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 115358296
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-nitrobenzenesulfonamide
CID 115363046
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 103896593
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide (CID 115362965) is 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide is CC(C)(CO)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
The InChIKey is DMPARIKBVMJGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(2,3)12-6-8-13(9-7-12)20(18,19)16-10-15(4,5)11-17/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide?
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.28, 5 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-2,2-dimethylpropyl)benzenesulfonamide is sourced from PubChem (CID 115362965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).