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

C22H15ClF3N3O3S — CID 126755354

IUPAC4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H15ClF3N3O3S/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/h2-3,5-11,29H,4H2,1H3
InChIKeyYXFMEBOJDOKAQU-UHFFFAOYSA-N
MW493.89 g/mol
LogP5.06
Rot. Bonds5

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

4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 126755354) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID126755354
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC Name4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H15ClF3N3O3S/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/h2-3,5-11,29H,4H2,1H3
InChIKeyYXFMEBOJDOKAQU-UHFFFAOYSA-N
XLogP5.06
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 167692524
4-chloro-N-[5-chloro-2-(1H-pyrrolo[2,3-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;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 160727479
3-tert-butyl-4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-cyclopenta[b]pyridine-4-carbonyl)-3-pyridinyl]-3-ethylbenzenesulfonamide
CID 159394186
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 158918228
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2,4-dimethylpyridine-3-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159735316
4-chloro-N-[5-chloro-2-(5-chloro-2-pyrazol-1-ylpyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 59224616
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 126755354) is 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YXFMEBOJDOKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/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/h2-3,5-11,29H,4H2,1H3.
What are the key properties of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 493.89 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).