N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide

C20H14F4N4O4S — CID 59418548

IUPACN-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cn1
InChIInChI=1S/C20H14F4N4O4S/c1-10(29)26-17-7-3-12(9-25-17)27-20(30)18-14(23)5-6-15(19(18)24)28-33(31,32)16-8-11(21)2-4-13(16)22/h2-9,28H,1H3,(H,27,30)(H,25,26,29)
InChIKeyCJNYHAZWNLRZSL-UHFFFAOYSA-N
MW482.42 g/mol
LogP3.65
Rot. Bonds6

About N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide

N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide (PubChem CID 59418548) has the molecular formula C20H14F4N4O4S and a molecular weight of 482.42 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
PubChem CID59418548
Molecular FormulaC20H14F4N4O4S
Molecular Weight482.42 g/mol
Exact Mass482.07
IUPAC NameN-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cn1
InChIInChI=1S/C20H14F4N4O4S/c1-10(29)26-17-7-3-12(9-25-17)27-20(30)18-14(23)5-6-15(19(18)24)28-33(31,32)16-8-11(21)2-4-13(16)22/h2-9,28H,1H3,(H,27,30)(H,25,26,29)
InChIKeyCJNYHAZWNLRZSL-UHFFFAOYSA-N
XLogP3.65
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide
CID 59418486
N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
CID 42646968
N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 42647200
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-[6-(2,5-difluoroanilino)-3-pyridinyl]-2,6-difluorobenzamide
CID 67126920
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide
CID 58316741
N-[5-[2-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 148557911
N-[5-[2-[2,6-difluoro-3-(pyridin-3-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 147217338
2,6-difluoro-N-(3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 71552688
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide (CID 59418548) is N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide is CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide?
The InChIKey is CJNYHAZWNLRZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O4S/c1-10(29)26-17-7-3-12(9-25-17)27-20(30)18-14(23)5-6-15(19(18)24)28-33(31,32)16-8-11(21)2-4-13(16)22/h2-9,28H,1H3,(H,27,30)(H,25,26,29).
What are the key properties of N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide?
N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide has a molecular weight of 482.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide is sourced from PubChem (CID 59418548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).