N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide

C14H23NO4S — CID 103697669

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO4S/c1-14(16,9-10-19-2)12-15-20(17,18)11-8-13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3
InChIKeyLWBIYRQWHFTSCM-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.94
Rot. Bonds9

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide (PubChem CID 103697669) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
PubChem CID103697669
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO4S/c1-14(16,9-10-19-2)12-15-20(17,18)11-8-13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3
InChIKeyLWBIYRQWHFTSCM-UHFFFAOYSA-N
XLogP0.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
1-(4-cyanophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 106252836
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
CID 90498609
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide (CID 103697669) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide is COCCC(C)(O)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide?
The InChIKey is LWBIYRQWHFTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-14(16,9-10-19-2)12-15-20(17,18)11-8-13-6-4-3-5-7-13/h3-7,15-16H,8-12H2,1-2H3.
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 103697669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).