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

C19H10Cl2F4N2O3S — CID 11554992

IUPAC4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1F)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl2F4N2O3S/c20-10-7-16(17(26-9-10)18(28)12-3-1-2-4-15(12)22)27-31(29,30)11-5-6-14(21)13(8-11)19(23,24)25/h1-9,27H
InChIKeyMCESGHAIAHUGRL-UHFFFAOYSA-N
MW493.27 g/mol
LogP5.58
Rot. Bonds5

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

4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 11554992) has the molecular formula C19H10Cl2F4N2O3S and a molecular weight of 493.27 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID11554992
Molecular FormulaC19H10Cl2F4N2O3S
Molecular Weight493.27 g/mol
Exact Mass491.97
IUPAC Name4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1F)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H10Cl2F4N2O3S/c20-10-7-16(17(26-9-10)18(28)12-3-1-2-4-15(12)22)27-31(29,30)11-5-6-14(21)13(8-11)19(23,24)25/h1-9,27H
InChIKeyMCESGHAIAHUGRL-UHFFFAOYSA-N
XLogP5.58
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.27
LogP ≤ 55.58
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-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 11554992) is 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccc1F)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MCESGHAIAHUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F4N2O3S/c20-10-7-16(17(26-9-10)18(28)12-3-1-2-4-15(12)22)27-31(29,30)11-5-6-14(21)13(8-11)19(23,24)25/h1-9,27H.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(2-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 493.27 g/mol, XLogP of 5.58, 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-fluorobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11554992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).