N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide

C14H23NO3S — CID 64556229

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO3S/c1-6-14(5,9-16)15-19(17,18)13-11(3)7-10(2)8-12(13)4/h7-8,15-16H,6,9H2,1-5H3
InChIKeyZEFQWWANCMIHGV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.05
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 64556229) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID64556229
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO3S/c1-6-14(5,9-16)15-19(17,18)13-11(3)7-10(2)8-12(13)4/h7-8,15-16H,6,9H2,1-5H3
InChIKeyZEFQWWANCMIHGV-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 64557626
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 64551163
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748874
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 61263608
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide (CID 64556229) is N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ZEFQWWANCMIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-14(5,9-16)15-19(17,18)13-11(3)7-10(2)8-12(13)4/h7-8,15-16H,6,9H2,1-5H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 64556229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).