N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide

C14H15NO5S2 — CID 154381211

IUPACN-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO5S2/c1-10-6-5-7-11(16)14(10)15-22(19,20)13-9-4-3-8-12(13)21(2,17)18/h3-9,15-16H,1-2H3
InChIKeyDNFVBOLWALJILN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.90
Rot. Bonds4

About N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide

N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide (PubChem CID 154381211) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
PubChem CID154381211
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC NameN-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15NO5S2/c1-10-6-5-7-11(16)14(10)15-22(19,20)13-9-4-3-8-12(13)21(2,17)18/h3-9,15-16H,1-2H3
InChIKeyDNFVBOLWALJILN-UHFFFAOYSA-N
XLogP1.90
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
CID 61036850
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
N-(2-hydroxy-6-methylphenyl)-N-methyl-2-methylsulfonylbenzenesulfonamide
CID 57007938
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide (CID 154381211) is N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide is Cc1cccc(O)c1NS(=O)(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide?
The InChIKey is DNFVBOLWALJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-10-6-5-7-11(16)14(10)15-22(19,20)13-9-4-3-8-12(13)21(2,17)18/h3-9,15-16H,1-2H3.
What are the key properties of N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide?
N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 154381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).