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

C20H16F3NO5S2 — CID 166629018

IUPACN-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(Oc2cc(S(=O)(=O)C(F)(F)F)ccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3NO5S2/c1-14-7-9-15(10-8-14)29-19-13-17(30(25,26)20(21,22)23)11-12-18(19)24-31(27,28)16-5-3-2-4-6-16/h2-13,24H,1H3
InChIKeyYPHSFEIHAVYRLR-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.88
Rot. Bonds6

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

N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 166629018) has the molecular formula C20H16F3NO5S2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID166629018
Molecular FormulaC20H16F3NO5S2
Molecular Weight471.48 g/mol
Exact Mass471.04
IUPAC NameN-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(Oc2cc(S(=O)(=O)C(F)(F)F)ccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16F3NO5S2/c1-14-7-9-15(10-8-14)29-19-13-17(30(25,26)20(21,22)23)11-12-18(19)24-31(27,28)16-5-3-2-4-6-16/h2-13,24H,1H3
InChIKeyYPHSFEIHAVYRLR-UHFFFAOYSA-N
XLogP4.88
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 166629018) is N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is Cc1ccc(Oc2cc(S(=O)(=O)C(F)(F)F)ccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is YPHSFEIHAVYRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO5S2/c1-14-7-9-15(10-8-14)29-19-13-17(30(25,26)20(21,22)23)11-12-18(19)24-31(27,28)16-5-3-2-4-6-16/h2-13,24H,1H3.
What are the key properties of N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide?
N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 471.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)-4-(trifluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166629018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).