4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid

C79H51Cl8F9N10O15S4 — CID 158657150

IUPAC4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid
SMILESCOc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2C)ccc1Cl.Cc1cccc(C(=O)O)c1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.N#Cc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H10Cl2F3N3O3S.C20H13Cl2F3N2O5S.C20H13Cl2F3N2O4S.C19H15Cl2N3O3S/c21-12-7-17(18(27-10-12)19(29)14-4-2-1-3-11(14)9-26)28-32(30,31)13-5-6-16(22)15(8-13)20(23,24)25;1-10-3-2-4-13(19(28)29)17(10)32-18-16(7-11(21)9-26-18)27-33(30,31)12-5-6-15(22)14(8-12)20(23,24)25;1-31-13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-32(29,30)14-5-6-16(22)15(9-14)20(23,24)25;1-11-8-14(5-6-16(11)21)28(26,27)24-17-9-13(20)10-23-18(17)19(25)15-4-3-7-22-12(15)2/h1-8,10,28H;2-9,27H,1H3,(H,28,29);2-10,27H,1H3;3-10,24H,1-2H3
InChIKeyICHAQZJLQQOGOW-UHFFFAOYSA-N
MW1963.21 g/mol
LogP21.20
Rot. Bonds22

About 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid

4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid (PubChem CID 158657150) has the molecular formula C79H51Cl8F9N10O15S4 and a molecular weight of 1963.21 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid
PubChem CID158657150
Molecular FormulaC79H51Cl8F9N10O15S4
Molecular Weight1963.21 g/mol
Exact Mass1957.98
IUPAC Name4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid
SMILESCOc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2C)ccc1Cl.Cc1cccc(C(=O)O)c1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.N#Cc1ccccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H10Cl2F3N3O3S.C20H13Cl2F3N2O5S.C20H13Cl2F3N2O4S.C19H15Cl2N3O3S/c21-12-7-17(18(27-10-12)19(29)14-4-2-1-3-11(14)9-26)28-32(30,31)13-5-6-16(22)15(8-13)20(23,24)25;1-10-3-2-4-13(19(28)29)17(10)32-18-16(7-11(21)9-26-18)27-33(30,31)12-5-6-15(22)14(8-12)20(23,24)25;1-31-13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-32(29,30)14-5-6-16(22)15(9-14)20(23,24)25;1-11-8-14(5-6-16(11)21)28(26,27)24-17-9-13(20)10-23-18(17)19(25)15-4-3-7-22-12(15)2/h1-8,10,28H;2-9,27H,1H3,(H,28,29);2-10,27H,1H3;3-10,24H,1-2H3
InChIKeyICHAQZJLQQOGOW-UHFFFAOYSA-N
XLogP21.20
TPSA379.89 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.21
LogP ≤ 521.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid with MolForge

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Related Compounds

2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159612739
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-oxo-1H-pyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;ethane
CID 160779174
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methoxypyridine-3-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 157156180
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid (CID 158657150) is 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid is COc1cccc(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2cccnc2C)ccc1Cl.Cc1cccc(C(=O)O)c1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.N#Cc1ccccc1C(=O)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-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid?
The InChIKey is ICHAQZJLQQOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F3N3O3S.C20H13Cl2F3N2O5S.C20H13Cl2F3N2O4S.C19H15Cl2N3O3S/c21-12-7-17(18(27-10-12)19(29)14-4-2-1-3-11(14)9-26)28-32(30,31)13-5-6-16(22)15(8-13)20(23,24)25;1-10-3-2-4-13(19(28)29)17(10)32-18-16(7-11(21)9-26-18)27-33(30,31)12-5-6-15(22)14(8-12)20(23,24)25;1-31-13-4-2-3-11(7-13)19(28)18-17(8-12(21)10-26-18)27-32(29,30)14-5-6-16(22)15(9-14)20(23,24)25;1-11-8-14(5-6-16(11)21)28(26,27)24-17-9-13(20)10-23-18(17)19(25)15-4-3-7-22-12(15)2/h1-8,10,28H;2-9,27H,1H3,(H,28,29);2-10,27H,1H3;3-10,24H,1-2H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid?
4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid has a molecular weight of 1963.21 g/mol, XLogP of 21.20, 22 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-cyanobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(3-methoxybenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-methylpyridine-3-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;2-[[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-3-methylbenzoic acid is sourced from PubChem (CID 158657150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).