N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide

C12H19NO4S — CID 79594821

IUPACN-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCOC(C)C)c1O
InChIInChI=1S/C12H19NO4S/c1-9(2)17-7-8-18(15,16)13-11-6-4-5-10(3)12(11)14/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyJFMZIFMNGTTXIT-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.87
Rot. Bonds6

About N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide

N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594821) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594821
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCOC(C)C)c1O
InChIInChI=1S/C12H19NO4S/c1-9(2)17-7-8-18(15,16)13-11-6-4-5-10(3)12(11)14/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyJFMZIFMNGTTXIT-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.87
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-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79934251
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
2-fluoro-N'-hydroxy-6-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593088
N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594122
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
CID 114959258
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide (CID 79594821) is N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide is Cc1cccc(NS(=O)(=O)CCOC(C)C)c1O.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is JFMZIFMNGTTXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(2)17-7-8-18(15,16)13-11-6-4-5-10(3)12(11)14/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).