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

C59H37Cl4F9N16O9S3 — CID 160722512

IUPAC4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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)c2nc(C)nc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.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)c1ncnc2[nH]ccc12
InChIInChI=1S/C21H15ClF3N5O3S.C19H10Cl2F3N5O3S.C19H12ClF3N6O3S/c1-10-7-16(30-34(32,33)12-3-4-15(22)14(8-12)21(23,24)25)18(27-9-10)19(31)17-13-5-6-26-20(13)29-11(2)28-17;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15;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/h3-9,30H,1-2H3,(H,26,28,29);1-8,29H,(H,25,27,28);2-8,29H,1H3,(H,25,26,27,28)
InChIKeyRTHANQUOZFVGNH-UHFFFAOYSA-N
MW1523.04 g/mol
LogP13.14
Rot. Bonds15

About 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 160722512) has the molecular formula C59H37Cl4F9N16O9S3 and a molecular weight of 1523.04 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 CID160722512
Molecular FormulaC59H37Cl4F9N16O9S3
Molecular Weight1523.04 g/mol
Exact Mass1520.07
IUPAC Name4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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)c2nc(C)nc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.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)c1ncnc2[nH]ccc12
InChIInChI=1S/C21H15ClF3N5O3S.C19H10Cl2F3N5O3S.C19H12ClF3N6O3S/c1-10-7-16(30-34(32,33)12-3-4-15(22)14(8-12)21(23,24)25)18(27-9-10)19(31)17-13-5-6-26-20(13)29-11(2)28-17;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15;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/h3-9,30H,1-2H3,(H,26,28,29);1-8,29H,(H,25,27,28);2-8,29H,1H3,(H,25,26,27,28)
InChIKeyRTHANQUOZFVGNH-UHFFFAOYSA-N
XLogP13.14
TPSA365.99 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001523.04
LogP ≤ 513.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 160722512) is 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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)c2nc(C)nc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.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)c1ncnc2[nH]ccc12.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 RTHANQUOZFVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O3S.C19H10Cl2F3N5O3S.C19H12ClF3N6O3S/c1-10-7-16(30-34(32,33)12-3-4-15(22)14(8-12)21(23,24)25)18(27-9-10)19(31)17-13-5-6-26-20(13)29-11(2)28-17;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15;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/h3-9,30H,1-2H3,(H,26,28,29);1-8,29H,(H,25,27,28);2-8,29H,1H3,(H,25,26,27,28).
What are the key properties of 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 1523.04 g/mol, XLogP of 13.14, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-methyl-2-(2-methyl-7H-pyrrolo[2,3-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 160722512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).