N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide

C15H14F3NO5S2 — CID 140931341

IUPACN-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
SMILESCS(=O)(=O)C(ONS(=O)(=O)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO5S2/c1-25(20,21)14(12-9-5-6-10-13(12)15(16,17)18)24-19-26(22,23)11-7-3-2-4-8-11/h2-10,14,19H,1H3
InChIKeyUWNUWIXSMDNXLK-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.66
Rot. Bonds6

About N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide

N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide (PubChem CID 140931341) has the molecular formula C15H14F3NO5S2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
PubChem CID140931341
Molecular FormulaC15H14F3NO5S2
Molecular Weight409.41 g/mol
Exact Mass409.03
IUPAC NameN-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
SMILESCS(=O)(=O)C(ONS(=O)(=O)c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO5S2/c1-25(20,21)14(12-9-5-6-10-13(12)15(16,17)18)24-19-26(22,23)11-7-3-2-4-8-11/h2-10,14,19H,1H3
InChIKeyUWNUWIXSMDNXLK-UHFFFAOYSA-N
XLogP2.66
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide?
The IUPAC name of N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide (CID 140931341) is N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide.
What is the SMILES notation for N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide?
The canonical SMILES for N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide is CS(=O)(=O)C(ONS(=O)(=O)c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide?
The InChIKey is UWNUWIXSMDNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO5S2/c1-25(20,21)14(12-9-5-6-10-13(12)15(16,17)18)24-19-26(22,23)11-7-3-2-4-8-11/h2-10,14,19H,1H3.
What are the key properties of N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide?
N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide has a molecular weight of 409.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methylsulfonyl-[2-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide is sourced from PubChem (CID 140931341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).