N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide

C11H17NO4S — CID 113256472

IUPACN-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(O)c(NS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C11H17NO4S/c1-8(2)7-17(14,15)12-10-6-9(16-3)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3
InChIKeyNPDTYPIQDKPGCZ-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.80
Rot. Bonds5

About N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide

N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 113256472) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID113256472
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(O)c(NS(=O)(=O)CC(C)C)c1
InChIInChI=1S/C11H17NO4S/c1-8(2)7-17(14,15)12-10-6-9(16-3)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3
InChIKeyNPDTYPIQDKPGCZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 79041071
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
1-cyano-N-(2-hydroxy-5-methoxyphenyl)propane-1-sulfonamide
CID 102696024
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 64786303
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
CID 102696009
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
CID 102695614
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide (CID 113256472) is N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide is COc1ccc(O)c(NS(=O)(=O)CC(C)C)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is NPDTYPIQDKPGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(2)7-17(14,15)12-10-6-9(16-3)4-5-11(10)13/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide?
N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 113256472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).