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

C39H28Cl4F6N6O8S2 — CID 160779174

IUPAC4-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
SMILESCC.COc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C19H12Cl2F3N3O4S.C18H10Cl2F3N3O4S.C2H6/c1-31-18-12(3-2-6-25-18)17(28)16-15(7-10(20)9-26-16)27-32(29,30)11-4-5-14(21)13(8-11)19(22,23)24;19-9-6-14(15(25-8-9)16(27)11-2-1-5-24-17(11)28)26-31(29,30)10-3-4-13(20)12(7-10)18(21,22)23;1-2/h2-9,27H,1H3;1-8,26H,(H,24,28);1-2H3
InChIKeySAIQJEFRQFIXHV-UHFFFAOYSA-N
MW1028.62 g/mol
LogP10.00
Rot. Bonds11

About 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

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 (PubChem CID 160779174) has the molecular formula C39H28Cl4F6N6O8S2 and a molecular weight of 1028.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160779174
Molecular FormulaC39H28Cl4F6N6O8S2
Molecular Weight1028.62 g/mol
Exact Mass1026.01
IUPAC Name4-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
SMILESCC.COc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc[nH]c1=O
InChIInChI=1S/C19H12Cl2F3N3O4S.C18H10Cl2F3N3O4S.C2H6/c1-31-18-12(3-2-6-25-18)17(28)16-15(7-10(20)9-26-16)27-32(29,30)11-4-5-14(21)13(8-11)19(22,23)24;19-9-6-14(15(25-8-9)16(27)11-2-1-5-24-17(11)28)26-31(29,30)10-3-4-13(20)12(7-10)18(21,22)23;1-2/h2-9,27H,1H3;1-8,26H,(H,24,28);1-2H3
InChIKeySAIQJEFRQFIXHV-UHFFFAOYSA-N
XLogP10.00
TPSA207.24 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.62
LogP ≤ 510.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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]-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-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
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-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-[5-chloro-2-(5-chloro-2-pyrazol-1-ylpyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 59224616
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58268198
3-bromo-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11699761
4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 158918228

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.COc1ncccc1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is SAIQJEFRQFIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3O4S.C18H10Cl2F3N3O4S.C2H6/c1-31-18-12(3-2-6-25-18)17(28)16-15(7-10(20)9-26-16)27-32(29,30)11-4-5-14(21)13(8-11)19(22,23)24;19-9-6-14(15(25-8-9)16(27)11-2-1-5-24-17(11)28)26-31(29,30)10-3-4-13(20)12(7-10)18(21,22)23;1-2/h2-9,27H,1H3;1-8,26H,(H,24,28);1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1028.62 g/mol, XLogP of 10.00, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160779174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).