4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C20H12Cl2F3N5O3S — CID 143610671

IUPAC4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1CC=CN2
InChIInChI=1S/C20H12Cl2F3N5O3S/c21-10-6-15(30-34(32,33)11-3-4-14(22)13(7-11)20(23,24)25)17(27-8-10)18(31)16-12-2-1-5-26-19(12)29-9-28-16/h1,3-9,30H,2H2,(H,26,28,29)
InChIKeyFOGQHAKXAMIPQW-UHFFFAOYSA-N
MW530.32 g/mol
LogP4.71
Rot. Bonds5

About 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143610671) has the molecular formula C20H12Cl2F3N5O3S and a molecular weight of 530.32 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID143610671
Molecular FormulaC20H12Cl2F3N5O3S
Molecular Weight530.32 g/mol
Exact Mass529.00
IUPAC Name4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1CC=CN2
InChIInChI=1S/C20H12Cl2F3N5O3S/c21-10-6-15(30-34(32,33)11-3-4-14(22)13(7-11)20(23,24)25)17(27-8-10)18(31)16-12-2-1-5-26-19(12)29-9-28-16/h1,3-9,30H,2H2,(H,26,28,29)
InChIKeyFOGQHAKXAMIPQW-UHFFFAOYSA-N
XLogP4.71
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.32
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ilacirnon
CID 25134303
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
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-(2-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554943
4-Chloro-N-[5-chloro-2-(6-methyl-pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11554944
4-chloro-N-[5-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11562266
4-Chloro-n-[5-chloro-2-(pyridine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11591022
4-Chloro-N-[5-chloro-2-(Pyridine-3-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11612619
4-chloro-N-[5-chloro-2-(5-chloro-2-methylpyridine-3-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11613372
4-chloro-N-[5-chloro-2-(2-methyl-1-oxidopyridin-1-ium-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11663433
4-Chloro-n-[5-chloro-2-(7h-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-phenyl]-3-trifluoromethyl-benzenesulfonamide
CID 25171027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 143610671) is 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1CC=CN2.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FOGQHAKXAMIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N5O3S/c21-10-6-15(30-34(32,33)11-3-4-14(22)13(7-11)20(23,24)25)17(27-8-10)18(31)16-12-2-1-5-26-19(12)29-9-28-16/h1,3-9,30H,2H2,(H,26,28,29).
What are the key properties of 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 530.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(5,8-dihydropyrido[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143610671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).