N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C20H14F3N5O4S — CID 59418501

IUPACN-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3cnc4nc[nH]c4c3)c2F)cc1F
InChIInChI=1S/C20H14F3N5O4S/c1-32-16-5-2-11(7-13(16)22)33(30,31)28-14-4-3-12(21)18(17(14)23)27-20(29)10-6-15-19(24-8-10)26-9-25-15/h2-9,28H,1H3,(H,27,29)(H,24,25,26)
InChIKeyYQFJSPKBVMFHRO-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.44
Rot. Bonds6

About N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 59418501) has the molecular formula C20H14F3N5O4S and a molecular weight of 477.42 g/mol. Its IUPAC name is N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID59418501
Molecular FormulaC20H14F3N5O4S
Molecular Weight477.42 g/mol
Exact Mass477.07
IUPAC NameN-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3cnc4nc[nH]c4c3)c2F)cc1F
InChIInChI=1S/C20H14F3N5O4S/c1-32-16-5-2-11(7-13(16)22)33(30,31)28-14-4-3-12(21)18(17(14)23)27-20(29)10-6-15-19(24-8-10)26-9-25-15/h2-9,28H,1H3,(H,27,29)(H,24,25,26)
InChIKeyYQFJSPKBVMFHRO-UHFFFAOYSA-N
XLogP3.44
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110859642
3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
CID 53349725
N-[2,6-difluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418546
N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110869798
N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418513
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454
N-[2,4-difluoro-3-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 58316736
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 59418501) is N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3cnc4nc[nH]c4c3)c2F)cc1F.
What is the InChIKey of N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YQFJSPKBVMFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4S/c1-32-16-5-2-11(7-13(16)22)33(30,31)28-14-4-3-12(21)18(17(14)23)27-20(29)10-6-15-19(24-8-10)26-9-25-15/h2-9,28H,1H3,(H,27,29)(H,24,25,26).
What are the key properties of N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 59418501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).