N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide

C22H21F3N2O3S — CID 2728422

IUPACN-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2O3S/c1-21(2,3)15-10-12-16(13-11-15)30-20-18(8-6-14-26-20)27-31(28,29)19-9-5-4-7-17(19)22(23,24)25/h4-14,27H,1-3H3
InChIKeyRAZWOTQKFAOCAX-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.99
Rot. Bonds5

About N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2728422) has the molecular formula C22H21F3N2O3S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2728422
Molecular FormulaC22H21F3N2O3S
Molecular Weight450.48 g/mol
Exact Mass450.12
IUPAC NameN-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H21F3N2O3S/c1-21(2,3)15-10-12-16(13-11-15)30-20-18(8-6-14-26-20)27-31(28,29)19-9-5-4-7-17(19)22(23,24)25/h4-14,27H,1-3H3
InChIKeyRAZWOTQKFAOCAX-UHFFFAOYSA-N
XLogP5.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide (CID 2728422) is N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is CC(C)(C)c1ccc(Oc2ncccc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RAZWOTQKFAOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S/c1-21(2,3)15-10-12-16(13-11-15)30-20-18(8-6-14-26-20)27-31(28,29)19-9-5-4-7-17(19)22(23,24)25/h4-14,27H,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.48 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).