N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide

C14H23NO4S — CID 106169800

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-5-14(3,8-9-16)15-20(17,18)12-6-7-13(19-4)11(2)10-12/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyXBCSHICJZGMLBX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.83
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide

N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 106169800) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID106169800
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-5-14(3,8-9-16)15-20(17,18)12-6-7-13(19-4)11(2)10-12/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyXBCSHICJZGMLBX-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091766
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106170126

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide (CID 106169800) is N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is XBCSHICJZGMLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-14(3,8-9-16)15-20(17,18)12-6-7-13(19-4)11(2)10-12/h6-7,10,15-16H,5,8-9H2,1-4H3.
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 106169800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).