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

C11H17NO4S — CID 65112797

IUPACN-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)O)cc1
InChIInChI=1S/C11H17NO4S/c1-11(2,13)8-12-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,12-13H,8H2,1-3H3
InChIKeyMCQNLXIOHQEXNS-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.74
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 65112797) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
PubChem CID65112797
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)O)cc1
InChIInChI=1S/C11H17NO4S/c1-11(2,13)8-12-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,12-13H,8H2,1-3H3
InChIKeyMCQNLXIOHQEXNS-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
CID 113090486
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 69020554
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-(2-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-nitrobenzenesulfonamide
CID 90498311
N-[4-[[2-(4-methoxyphenyl)-2-methylpropyl]sulfamoyl]phenyl]acetamide
CID 113090514
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide (CID 65112797) is N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is MCQNLXIOHQEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-11(2,13)8-12-17(14,15)10-6-4-9(16-3)5-7-10/h4-7,12-13H,8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 65112797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).