N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide

C21H19FN4O3S — CID 66646625

IUPACN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCCC4)c3F)c2c1
InChIInChI=1S/C21H19FN4O3S/c22-19-15(20(27)17-12-25-21-16(17)9-13(10-23)11-24-21)7-4-8-18(19)26-30(28,29)14-5-2-1-3-6-14/h4,7-9,11-12,14,26H,1-3,5-6H2,(H,24,25)
InChIKeyWFEUYJGXNSSSCL-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.88
Rot. Bonds5

About N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide (PubChem CID 66646625) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
PubChem CID66646625
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide
SMILESN#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCCC4)c3F)c2c1
InChIInChI=1S/C21H19FN4O3S/c22-19-15(20(27)17-12-25-21-16(17)9-13(10-23)11-24-21)7-4-8-18(19)26-30(28,29)14-5-2-1-3-6-14/h4,7-9,11-12,14,26H,1-3,5-6H2,(H,24,25)
InChIKeyWFEUYJGXNSSSCL-UHFFFAOYSA-N
XLogP3.88
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide (CID 66646625) is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide is N#Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CCCCC4)c3F)c2c1.
What is the InChIKey of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide?
The InChIKey is WFEUYJGXNSSSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c22-19-15(20(27)17-12-25-21-16(17)9-13(10-23)11-24-21)7-4-8-18(19)26-30(28,29)14-5-2-1-3-6-14/h4,7-9,11-12,14,26H,1-3,5-6H2,(H,24,25).
What are the key properties of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide?
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide has a molecular weight of 426.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]cyclohexanesulfonamide is sourced from PubChem (CID 66646625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).