N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide

C15H17NO3S — CID 79602574

IUPACN-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-7-8-13(9-12(10)3)20(18,19)16-14-6-4-5-11(2)15(14)17/h4-9,16-17H,1-3H3
InChIKeyDTCFHDNEBQEVSJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.12
Rot. Bonds3

About N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide

N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 79602574) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID79602574
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1C
InChIInChI=1S/C15H17NO3S/c1-10-7-8-13(9-12(10)3)20(18,19)16-14-6-4-5-11(2)15(14)17/h4-9,16-17H,1-3H3
InChIKeyDTCFHDNEBQEVSJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.12
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

3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
CID 114959258
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 110732198
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3,4-dimethyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 175468998

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide (CID 79602574) is N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C)c2O)cc1C.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is DTCFHDNEBQEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-7-8-13(9-12(10)3)20(18,19)16-14-6-4-5-11(2)15(14)17/h4-9,16-17H,1-3H3.
What are the key properties of N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide?
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 79602574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).