(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride

C40H23Cl5F6N8O6S2 — CID 158830527

IUPAC(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESNc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H11Cl2F3N4O3S.C13H9ClN4O.C7H3Cl2F3O2S/c21-10-7-16(29-33(31,32)11-1-2-15(22)14(8-11)20(23,24)25)17(28-9-10)18(30)12-3-5-26-19-13(12)4-6-27-19;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-9,29H,(H,26,27);1-6H,15H2,(H,16,17);1-3H
InChIKeyIWZGYDBEFFEPSZ-UHFFFAOYSA-N
MW1067.06 g/mol
LogP11.03
Rot. Bonds8

About (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride

(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 158830527) has the molecular formula C40H23Cl5F6N8O6S2 and a molecular weight of 1067.06 g/mol. Its IUPAC name is (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID158830527
Molecular FormulaC40H23Cl5F6N8O6S2
Molecular Weight1067.06 g/mol
Exact Mass1063.95
IUPAC Name(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESNc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H11Cl2F3N4O3S.C13H9ClN4O.C7H3Cl2F3O2S/c21-10-7-16(29-33(31,32)11-1-2-15(22)14(8-11)20(23,24)25)17(28-9-10)18(30)12-3-5-26-19-13(12)4-6-27-19;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-9,29H,(H,26,27);1-6H,15H2,(H,16,17);1-3H
InChIKeyIWZGYDBEFFEPSZ-UHFFFAOYSA-N
XLogP11.03
TPSA223.61 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.06
LogP ≤ 511.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride with MolForge

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Related Compounds

Ilacirnon
CID 25134303
Ilacirnon Sodium
CID 137552094
4-Chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171235
4-Chloro-n-[5-chloro-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-phenyl]-3-trifluoromethyl-benzenesulfonamide
CID 25171027
4-Chloro-N-[2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171028
4-Chloro-N-[5-chloro-2-(7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171029
4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 25171233
4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 25171234
N-[5-chloro-2-(6-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-3-yl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 44176499
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)pyridin-3-yl]-3-(1,1-difluoroethyl)benzenesulfonamide
CID 44176500
3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)pyridin-3-yl]benzenesulfonamide
CID 44176722
N-[5-Chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-pyridin-3-yl]-3-fluoro-4-methyl-benzenesulfonamide
CID 44176725

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride (CID 158830527) is (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride is Nc1cc(Cl)cnc1C(=O)c1ccnc2[nH]ccc12.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccnc2[nH]ccc12.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is IWZGYDBEFFEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N4O3S.C13H9ClN4O.C7H3Cl2F3O2S/c21-10-7-16(29-33(31,32)11-1-2-15(22)14(8-11)20(23,24)25)17(28-9-10)18(30)12-3-5-26-19-13(12)4-6-27-19;14-7-5-10(15)11(18-6-7)12(19)8-1-3-16-13-9(8)2-4-17-13;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-9,29H,(H,26,27);1-6H,15H2,(H,16,17);1-3H.
What are the key properties of (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride?
(3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 1067.06 g/mol, XLogP of 11.03, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-2-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone;4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 158830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).