N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide

C14H15NO3S — CID 54909431

IUPACN-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2c(C)cccc2O)c1
InChIInChI=1S/C14H15NO3S/c1-10-5-3-7-12(9-10)19(17,18)15-14-11(2)6-4-8-13(14)16/h3-9,15-16H,1-2H3
InChIKeyISZIHCITKLTHSC-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds3

About N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide

N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide (PubChem CID 54909431) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
PubChem CID54909431
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2c(C)cccc2O)c1
InChIInChI=1S/C14H15NO3S/c1-10-5-3-7-12(9-10)19(17,18)15-14-11(2)6-4-8-13(14)16/h3-9,15-16H,1-2H3
InChIKeyISZIHCITKLTHSC-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
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

4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide (CID 54909431) is N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2c(C)cccc2O)c1.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is ISZIHCITKLTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-5-3-7-12(9-10)19(17,18)15-14-11(2)6-4-8-13(14)16/h3-9,15-16H,1-2H3.
What are the key properties of N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide?
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 54909431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).