4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane

C44H31Cl3F6N6O6S2 — CID 157329571

IUPAC4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
SMILESC.Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ccnc2c1C=CC2)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF3N3O3S.C21H12Cl2F3N3O3S.CH4/c1-12-9-19(29-33(31,32)13-5-6-17(23)16(10-13)22(24,25)26)20(28-11-12)21(30)15-7-8-27-18-4-2-3-14(15)18;22-11-8-18(29-33(31,32)12-4-5-16(23)15(9-12)21(24,25)26)19(28-10-11)20(30)14-6-7-27-17-3-1-2-13(14)17;/h2-3,5-11,29H,4H2,1H3;1-2,4-10,29H,3H2;1H4
InChIKeyBFCYWRXZIHQAMN-UHFFFAOYSA-N
MW1024.25 g/mol
LogP11.10
Rot. Bonds10

About 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane

4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane (PubChem CID 157329571) has the molecular formula C44H31Cl3F6N6O6S2 and a molecular weight of 1024.25 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
PubChem CID157329571
Molecular FormulaC44H31Cl3F6N6O6S2
Molecular Weight1024.25 g/mol
Exact Mass1022.07
IUPAC Name4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane
SMILESC.Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ccnc2c1C=CC2)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF3N3O3S.C21H12Cl2F3N3O3S.CH4/c1-12-9-19(29-33(31,32)13-5-6-17(23)16(10-13)22(24,25)26)20(28-11-12)21(30)15-7-8-27-18-4-2-3-14(15)18;22-11-8-18(29-33(31,32)12-4-5-16(23)15(9-12)21(24,25)26)19(28-10-11)20(30)14-6-7-27-17-3-1-2-13(14)17;/h2-3,5-11,29H,4H2,1H3;1-2,4-10,29H,3H2;1H4
InChIKeyBFCYWRXZIHQAMN-UHFFFAOYSA-N
XLogP11.10
TPSA178.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.25
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane with MolForge

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Related Compounds

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
4-chloro-N-[5-chloro-2-(2-methylsulfinylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497499
4-chloro-N-[5-chloro-2-(2-methyl-6-methylsulfonylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11497819
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
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-(2-fluorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554992
4-chloro-N-[5-chloro-2-(3-methylsulfonylbenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11555803
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-(3-chlorobenzoyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11577085
4-chloro-N-[5-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11584262
4-Chloro-n-[5-chloro-2-(pyridine-4-carbonyl)-pyridin-3-yl]-3-trifluoromethyl-benzenesulfonamide
CID 11591022

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane?
The IUPAC name of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane (CID 157329571) is 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane is C.Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.O=C(c1ccnc2c1C=CC2)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane?
The InChIKey is BFCYWRXZIHQAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S.C21H12Cl2F3N3O3S.CH4/c1-12-9-19(29-33(31,32)13-5-6-17(23)16(10-13)22(24,25)26)20(28-11-12)21(30)15-7-8-27-18-4-2-3-14(15)18;22-11-8-18(29-33(31,32)12-4-5-16(23)15(9-12)21(24,25)26)19(28-10-11)20(30)14-6-7-27-17-3-1-2-13(14)17;/h2-3,5-11,29H,4H2,1H3;1-2,4-10,29H,3H2;1H4.
What are the key properties of 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane?
4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane has a molecular weight of 1024.25 g/mol, XLogP of 11.10, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;methane is sourced from PubChem (CID 157329571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).