N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

C12H19NO5S — CID 90501117

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO5S/c1-12(14,9-17-2)8-13-19(15,16)11-6-4-10(18-3)5-7-11/h4-7,13-14H,8-9H2,1-3H3
InChIKeyCCZRWPFSWFMGQG-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.37
Rot. Bonds7

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 90501117) has the molecular formula C12H19NO5S and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
PubChem CID90501117
Molecular FormulaC12H19NO5S
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H19NO5S/c1-12(14,9-17-2)8-13-19(15,16)11-6-4-10(18-3)5-7-11/h4-7,13-14H,8-9H2,1-3H3
InChIKeyCCZRWPFSWFMGQG-UHFFFAOYSA-N
XLogP0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501120
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (CID 90501117) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is COCC(C)(O)CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is CCZRWPFSWFMGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S/c1-12(14,9-17-2)8-13-19(15,16)11-6-4-10(18-3)5-7-11/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90501117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).