N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide

C19H13F4NO5S2 — CID 166635050

IUPACN-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H13F4NO5S2/c20-13-5-4-6-14(11-13)29-18-12-16(30(25,26)19(21,22)23)9-10-17(18)24-31(27,28)15-7-2-1-3-8-15/h1-12,24H
InChIKeyBYEHYZJLLVPHIJ-UHFFFAOYSA-N
MW475.44 g/mol
LogP4.71
Rot. Bonds6

About N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide

N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166635050) has the molecular formula C19H13F4NO5S2 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166635050
Molecular FormulaC19H13F4NO5S2
Molecular Weight475.44 g/mol
Exact Mass475.02
IUPAC NameN-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C19H13F4NO5S2/c20-13-5-4-6-14(11-13)29-18-12-16(30(25,26)19(21,22)23)9-10-17(18)24-31(27,28)15-7-2-1-3-8-15/h1-12,24H
InChIKeyBYEHYZJLLVPHIJ-UHFFFAOYSA-N
XLogP4.71
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166635050) is N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is BYEHYZJLLVPHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO5S2/c20-13-5-4-6-14(11-13)29-18-12-16(30(25,26)19(21,22)23)9-10-17(18)24-31(27,28)15-7-2-1-3-8-15/h1-12,24H.
What are the key properties of N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 475.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166635050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).