N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide

C16H10F2N4O3S — CID 66646690

IUPACN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#N)cc23)c1F
InChIInChI=1S/C16H10F2N4O3S/c1-26(24,25)22-12-3-2-11(17)13(14(12)18)15(23)10-7-21-16-9(10)4-8(5-19)6-20-16/h2-4,6-7,22H,1H3,(H,20,21)
InChIKeyHCFKLKHZLFRBFL-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.32
Rot. Bonds4

About N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide (PubChem CID 66646690) has the molecular formula C16H10F2N4O3S and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide
PubChem CID66646690
Molecular FormulaC16H10F2N4O3S
Molecular Weight376.34 g/mol
Exact Mass376.04
IUPAC NameN-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#N)cc23)c1F
InChIInChI=1S/C16H10F2N4O3S/c1-26(24,25)22-12-3-2-11(17)13(14(12)18)15(23)10-7-21-16-9(10)4-8(5-19)6-20-16/h2-4,6-7,22H,1H3,(H,20,21)
InChIKeyHCFKLKHZLFRBFL-UHFFFAOYSA-N
XLogP2.32
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]cyclopropanesulfonamide
CID 90117085
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
CID 46913145
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-1-pyridin-2-ylmethanesulfonamide
CID 66647006
3-[2,6-difluoro-3-(nonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;propane-1-sulfonic acid
CID 158997707
3-(2,6-difluoro-3-pyrrolidin-1-ylbenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 90116359
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-2-sulfonamide
CID 66646842
(2,6-difluoro-3-methylphenyl)-(5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 91297376
N-[2,4-difluoro-3-(5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 58086479
N-[4-amino-3-(5-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]methanesulfonamide
CID 91515532
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-1H-1,2,4-triazole-5-sulfonamide
CID 66646515
N-[2,4-difluoro-3-[5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 66646955
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]-4-fluorobenzenesulfonamide
CID 66647187

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide (CID 66646690) is N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#N)cc23)c1F.
What is the InChIKey of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide?
The InChIKey is HCFKLKHZLFRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O3S/c1-26(24,25)22-12-3-2-11(17)13(14(12)18)15(23)10-7-21-16-9(10)4-8(5-19)6-20-16/h2-4,6-7,22H,1H3,(H,20,21).
What are the key properties of N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide?
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]methanesulfonamide has a molecular weight of 376.34 g/mol, XLogP of 2.32, 4 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)-2,4-difluorophenyl]methanesulfonamide is sourced from PubChem (CID 66646690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).