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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Related Compounds

2-chloro-N-phenyl-5-[(3-pyridinylamino)sulfonyl]benzamide
CID 1217158
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
4-Chloro-N-[4-chloro-2-(pyridine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 10069939
US9394307, 4-chloro-N-(2-{5-methoxy-1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-methylpyridin-3-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870811
US9394307, N-(2-{1H,3aH,7aH-pyrrolo[2,3-b]pyridine-4-carbonyl}-5-chloropyridin-3-yl)-4-chloro-3-(trifluoromethyl)benzene-1-sulfonamide
CID 57870818
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 49865231
N-(2-chlorophenyl)-4-fluoro-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 25044424
5-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 126456618
4-chloro-N-[5-chloro-2-(2-methylsulfinylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497499
4-chloro-N-[5-chloro-2-(2-methyl-6-methylsulfonylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497819
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-Chloro-N-[5-chloro-2-(2-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554943

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).