4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C39H23Cl3F6N10O6S2 — CID 158399890

IUPAC4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(C(=O)c2ncnc3nc[nH]c23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1C=CC2
InChIInChI=1S/C20H11Cl2F3N4O3S.C19H12ClF3N6O3S/c21-10-6-16(29-33(31,32)11-4-5-14(22)13(7-11)20(23,24)25)18(26-8-10)19(30)17-12-2-1-3-15(12)27-9-28-17;1-9-4-13(29-33(31,32)10-2-3-12(20)11(5-10)19(21,22)23)14(24-6-9)17(30)15-16-18(27-7-25-15)28-8-26-16/h1-2,4-9,29H,3H2;2-8,29H,1H3,(H,25,26,27,28)
InChIKeyGXYZAVZCLVTOSU-UHFFFAOYSA-N
MW1012.16 g/mol
LogP8.56
Rot. Bonds10

About 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 158399890) has the molecular formula C39H23Cl3F6N10O6S2 and a molecular weight of 1012.16 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID158399890
Molecular FormulaC39H23Cl3F6N10O6S2
Molecular Weight1012.16 g/mol
Exact Mass1010.02
IUPAC Name4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(C(=O)c2ncnc3nc[nH]c23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1C=CC2
InChIInChI=1S/C20H11Cl2F3N4O3S.C19H12ClF3N6O3S/c21-10-6-16(29-33(31,32)11-4-5-14(22)13(7-11)20(23,24)25)18(26-8-10)19(30)17-12-2-1-3-15(12)27-9-28-17;1-9-4-13(29-33(31,32)10-2-3-12(20)11(5-10)19(21,22)23)14(24-6-9)17(30)15-16-18(27-7-25-15)28-8-26-16/h1-2,4-9,29H,3H2;2-8,29H,1H3,(H,25,26,27,28)
InChIKeyGXYZAVZCLVTOSU-UHFFFAOYSA-N
XLogP8.56
TPSA232.50 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.16
LogP ≤ 58.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide 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-Methyl-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 25171231
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 158399890) is 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cnc(C(=O)c2ncnc3nc[nH]c23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2c1C=CC2.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GXYZAVZCLVTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N4O3S.C19H12ClF3N6O3S/c21-10-6-16(29-33(31,32)11-4-5-14(22)13(7-11)20(23,24)25)18(26-8-10)19(30)17-12-2-1-3-15(12)27-9-28-17;1-9-4-13(29-33(31,32)10-2-3-12(20)11(5-10)19(21,22)23)14(24-6-9)17(30)15-16-18(27-7-25-15)28-8-26-16/h1-2,4-9,29H,3H2;2-8,29H,1H3,(H,25,26,27,28).
What are the key properties of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1012.16 g/mol, XLogP of 8.56, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 158399890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).