N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C16H27NO3S — CID 64557626

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27NO3S/c1-8-16(7,9-18)17-21(19,20)15-13(5)11(3)10(2)12(4)14(15)6/h17-18H,8-9H2,1-7H3
InChIKeyBZQJTHAEYMJSRW-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.67
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 64557626) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID64557626
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27NO3S/c1-8-16(7,9-18)17-21(19,20)15-13(5)11(3)10(2)12(4)14(15)6/h17-18H,8-9H2,1-7H3
InChIKeyBZQJTHAEYMJSRW-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748874
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 64551163
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
3-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505256
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
3-fluoro-5-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64551365
4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
N-(1-hydroxy-2-methylbutan-2-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 64557790

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 64557626) is N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is BZQJTHAEYMJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-8-16(7,9-18)17-21(19,20)15-13(5)11(3)10(2)12(4)14(15)6/h17-18H,8-9H2,1-7H3.
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 313.46 g/mol, XLogP of 2.67, 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)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 64557626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).