4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C19H9Cl3F4N2O3S — CID 11598951

IUPAC4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C19H9Cl3F4N2O3S/c20-9-6-15(17(27-8-9)18(29)16-13(22)2-1-3-14(16)23)28-32(30,31)10-4-5-12(21)11(7-10)19(24,25)26/h1-8,28H
InChIKeyWDVSFQJYRBXAAB-UHFFFAOYSA-N
MW527.71 g/mol
LogP6.23
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11598951) has the molecular formula C19H9Cl3F4N2O3S and a molecular weight of 527.71 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11598951
Molecular FormulaC19H9Cl3F4N2O3S
Molecular Weight527.71 g/mol
Exact Mass525.93
IUPAC Name4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C19H9Cl3F4N2O3S/c20-9-6-15(17(27-8-9)18(29)16-13(22)2-1-3-14(16)23)28-32(30,31)10-4-5-12(21)11(7-10)19(24,25)26/h1-8,28H
InChIKeyWDVSFQJYRBXAAB-UHFFFAOYSA-N
XLogP6.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11598951) is 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1Cl.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WDVSFQJYRBXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F4N2O3S/c20-9-6-15(17(27-8-9)18(29)16-13(22)2-1-3-14(16)23)28-32(30,31)10-4-5-12(21)11(7-10)19(24,25)26/h1-8,28H.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 527.71 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-chloro-6-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11598951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).