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

C18H13F3N2O5S2 — CID 166632760

IUPACN-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccnc1)c1ccccc1
InChIInChI=1S/C18H13F3N2O5S2/c19-18(20,21)29(24,25)15-8-9-16(17(11-15)28-13-5-4-10-22-12-13)23-30(26,27)14-6-2-1-3-7-14/h1-12,23H
InChIKeyXGPICBGRBARDLK-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.97
Rot. Bonds6

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

N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166632760) has the molecular formula C18H13F3N2O5S2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166632760
Molecular FormulaC18H13F3N2O5S2
Molecular Weight458.44 g/mol
Exact Mass458.02
IUPAC NameN-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccnc1)c1ccccc1
InChIInChI=1S/C18H13F3N2O5S2/c19-18(20,21)29(24,25)15-8-9-16(17(11-15)28-13-5-4-10-22-12-13)23-30(26,27)14-6-2-1-3-7-14/h1-12,23H
InChIKeyXGPICBGRBARDLK-UHFFFAOYSA-N
XLogP3.97
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166632760) is N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Oc1cccnc1)c1ccccc1.
What is the InChIKey of N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is XGPICBGRBARDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O5S2/c19-18(20,21)29(24,25)15-8-9-16(17(11-15)28-13-5-4-10-22-12-13)23-30(26,27)14-6-2-1-3-7-14/h1-12,23H.
What are the key properties of N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 458.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyridin-3-yloxy-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166632760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).