2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C14H12F3NO5S2 — CID 110300294

IUPAC2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NO5S2/c1-23-11-6-3-8(24(2,19)20)7-12(11)25(21,22)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3
InChIKeyMGYBWRTUMDIVTM-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.32
Rot. Bonds5

About 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide

2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 110300294) has the molecular formula C14H12F3NO5S2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID110300294
Molecular FormulaC14H12F3NO5S2
Molecular Weight395.38 g/mol
Exact Mass395.01
IUPAC Name2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NO5S2/c1-23-11-6-3-8(24(2,19)20)7-12(11)25(21,22)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3
InChIKeyMGYBWRTUMDIVTM-UHFFFAOYSA-N
XLogP2.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(2,4-dimethylphenyl)-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300241
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157297
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
1-N,3-N-bis(4-chloro-2-fluoro-6-methoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157254
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 110300294) is 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is MGYBWRTUMDIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO5S2/c1-23-11-6-3-8(24(2,19)20)7-12(11)25(21,22)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3.
What are the key properties of 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 395.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 110300294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).