N-(2-hydroxy-4-methylphenyl)methanesulfonamide

C8H11NO3S — CID 849290

IUPACN-(2-hydroxy-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(O)c1
InChIInChI=1S/C8H11NO3S/c1-6-3-4-7(8(10)5-6)9-13(2,11)12/h3-5,9-10H,1-2H3
InChIKeyUETYVIDJTUJBRJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.07
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)methanesulfonamide

N-(2-hydroxy-4-methylphenyl)methanesulfonamide (PubChem CID 849290) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)methanesulfonamide
PubChem CID849290
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-(2-hydroxy-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(O)c1
InChIInChI=1S/C8H11NO3S/c1-6-3-4-7(8(10)5-6)9-13(2,11)12/h3-5,9-10H,1-2H3
InChIKeyUETYVIDJTUJBRJ-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
N-(4-hydrazinyl-2-hydroxyphenyl)methanesulfonamide
CID 142914316
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)methanesulfonamide (CID 849290) is N-(2-hydroxy-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
The InChIKey is UETYVIDJTUJBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-3-4-7(8(10)5-6)9-13(2,11)12/h3-5,9-10H,1-2H3.
What are the key properties of N-(2-hydroxy-4-methylphenyl)methanesulfonamide?
N-(2-hydroxy-4-methylphenyl)methanesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 849290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).