N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H12F4N4O3S — CID 59418454

IUPACN-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C20H12F4N4O3S/c21-12-1-2-13(22)16(8-12)32(30,31)28-15-4-3-14(23)18(17(15)24)27-20(29)11-7-10-5-6-25-19(10)26-9-11/h1-9,28H,(H,25,26)(H,27,29)
InChIKeyFTHCGPZWVXZMQB-UHFFFAOYSA-N
MW464.40 g/mol
LogP4.17
Rot. Bonds5

About N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59418454) has the molecular formula C20H12F4N4O3S and a molecular weight of 464.40 g/mol. Its IUPAC name is N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59418454
Molecular FormulaC20H12F4N4O3S
Molecular Weight464.40 g/mol
Exact Mass464.06
IUPAC NameN-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1cnc2[nH]ccc2c1
InChIInChI=1S/C20H12F4N4O3S/c21-12-1-2-13(22)16(8-12)32(30,31)28-15-4-3-14(23)18(17(15)24)27-20(29)11-7-10-5-6-25-19(10)26-9-11/h1-9,28H,(H,25,26)(H,27,29)
InChIKeyFTHCGPZWVXZMQB-UHFFFAOYSA-N
XLogP4.17
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418513
N-[2,6-difluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418546
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 59418510
N-[2,6-difluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 59418501
N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
CID 59418548
N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 58316900
1-[4-carbamoyl-2-[(2,5-difluorophenyl)sulfonylamino]-3,5-difluorophenyl]-2,3-dihydroimidazo[4,5-b]pyridine-6-carboxylic acid
CID 87087963
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 58316741
N-[3-[4-(cyclopropylmethylamino)-5-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 58316894

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59418454) is N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(Nc1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is FTHCGPZWVXZMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O3S/c21-12-1-2-13(22)16(8-12)32(30,31)28-15-4-3-14(23)18(17(15)24)27-20(29)11-7-10-5-6-25-19(10)26-9-11/h1-9,28H,(H,25,26)(H,27,29).
What are the key properties of N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59418454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).