5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide

C22H14ClFN4O2S2 — CID 22965694

IUPAC5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1)c1ccc(Cl)s1
InChIInChI=1S/C22H14ClFN4O2S2/c23-17-6-8-19(31-17)32(29,30)28-18-7-5-16-20(13-9-11-25-12-10-13)21(27-22(16)26-18)14-1-3-15(24)4-2-14/h1-12H,(H2,26,27,28)
InChIKeyQFDVJSNZYYJAKY-UHFFFAOYSA-N
MW484.97 g/mol
LogP5.95
Rot. Bonds5

About 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide

5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide (PubChem CID 22965694) has the molecular formula C22H14ClFN4O2S2 and a molecular weight of 484.97 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide
PubChem CID22965694
Molecular FormulaC22H14ClFN4O2S2
Molecular Weight484.97 g/mol
Exact Mass484.02
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1)c1ccc(Cl)s1
InChIInChI=1S/C22H14ClFN4O2S2/c23-17-6-8-19(31-17)32(29,30)28-18-7-5-16-20(13-9-11-25-12-10-13)21(27-22(16)26-18)14-1-3-15(24)4-2-14/h1-12H,(H2,26,27,28)
InChIKeyQFDVJSNZYYJAKY-UHFFFAOYSA-N
XLogP5.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-2-sulfonamide
CID 57344794
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178124
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122178125
5-chloro-N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 122178126
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide
CID 71581422
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
N-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-pyridinesulfonamide
CID 59406184

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide (CID 22965694) is 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide?
The InChIKey is QFDVJSNZYYJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O2S2/c23-17-6-8-19(31-17)32(29,30)28-18-7-5-16-20(13-9-11-25-12-10-13)21(27-22(16)26-18)14-1-3-15(24)4-2-14/h1-12H,(H2,26,27,28).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide?
5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide has a molecular weight of 484.97 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22965694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).