N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide

C14H23NO4S — CID 90501130

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)12-5-7-13(8-6-12)20(17,18)15-9-14(3,16)10-19-4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyNYBVLNVVBPXRMJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.49
Rot. Bonds7

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 90501130) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID90501130
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23NO4S/c1-11(2)12-5-7-13(8-6-12)20(17,18)15-9-14(3,16)10-19-4/h5-8,11,15-16H,9-10H2,1-4H3
InChIKeyNYBVLNVVBPXRMJ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501120
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
CID 75496479
1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 65147096
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-propan-2-ylbenzenesulfonamide
CID 90600039
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide (CID 90501130) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide is COCC(C)(O)CNS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is NYBVLNVVBPXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)12-5-7-13(8-6-12)20(17,18)15-9-14(3,16)10-19-4/h5-8,11,15-16H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 90501130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).