N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide

C19H14F3NO5S2 — CID 166626061

IUPACN-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F3NO5S2/c20-19(21,22)29(24,25)16-11-12-17(18(13-16)28-14-7-3-1-4-8-14)23-30(26,27)15-9-5-2-6-10-15/h1-13,23H
InChIKeyHUPCKFBLVSQCAR-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.57
Rot. Bonds6

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

N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166626061) has the molecular formula C19H14F3NO5S2 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166626061
Molecular FormulaC19H14F3NO5S2
Molecular Weight457.45 g/mol
Exact Mass457.03
IUPAC NameN-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F3NO5S2/c20-19(21,22)29(24,25)16-11-12-17(18(13-16)28-14-7-3-1-4-8-14)23-30(26,27)15-9-5-2-6-10-15/h1-13,23H
InChIKeyHUPCKFBLVSQCAR-UHFFFAOYSA-N
XLogP4.57
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166626061) is N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is HUPCKFBLVSQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO5S2/c20-19(21,22)29(24,25)16-11-12-17(18(13-16)28-14-7-3-1-4-8-14)23-30(26,27)15-9-5-2-6-10-15/h1-13,23H.
What are the key properties of N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 457.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenoxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166626061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).