N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide

C16H19NO5S2 — CID 110300241

IUPACN-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H19NO5S2/c1-11-5-7-14(12(2)9-11)17-24(20,21)16-10-13(23(4,18)19)6-8-15(16)22-3/h5-10,17H,1-4H3
InChIKeyYBILQBAESZIZRE-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.52
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide

N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide (PubChem CID 110300241) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
PubChem CID110300241
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC NameN-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H19NO5S2/c1-11-5-7-14(12(2)9-11)17-24(20,21)16-10-13(23(4,18)19)6-8-15(16)22-3/h5-10,17H,1-4H3
InChIKeyYBILQBAESZIZRE-UHFFFAOYSA-N
XLogP2.52
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide (CID 110300241) is N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide?
The InChIKey is YBILQBAESZIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-11-5-7-14(12(2)9-11)17-24(20,21)16-10-13(23(4,18)19)6-8-15(16)22-3/h5-10,17H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide?
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 110300241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).