N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide

C21H16F4N4O5S — CID 59418486

IUPACN-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3ccc(OC(F)F)cc3)c2F)cn1
InChIInChI=1S/C21H16F4N4O5S/c1-11(30)27-17-9-2-12(10-26-17)28-20(31)18-15(22)7-8-16(19(18)23)29-35(32,33)14-5-3-13(4-6-14)34-21(24)25/h2-10,21,29H,1H3,(H,28,31)(H,26,27,30)
InChIKeyLMLGCPLTYWYGHM-UHFFFAOYSA-N
MW512.44 g/mol
LogP3.97
Rot. Bonds8

About N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide

N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide (PubChem CID 59418486) has the molecular formula C21H16F4N4O5S and a molecular weight of 512.44 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide
PubChem CID59418486
Molecular FormulaC21H16F4N4O5S
Molecular Weight512.44 g/mol
Exact Mass512.08
IUPAC NameN-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3ccc(OC(F)F)cc3)c2F)cn1
InChIInChI=1S/C21H16F4N4O5S/c1-11(30)27-17-9-2-12(10-26-17)28-20(31)18-15(22)7-8-16(19(18)23)29-35(32,33)14-5-3-13(4-6-14)34-21(24)25/h2-10,21,29H,1H3,(H,28,31)(H,26,27,30)
InChIKeyLMLGCPLTYWYGHM-UHFFFAOYSA-N
XLogP3.97
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
CID 59418548
N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 42647200
N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
CID 42646968
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
N-[5-[2-[2,6-difluoro-3-(pyridin-3-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 147217338
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[4-(difluoromethoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 9405047
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-[5-[2-[2,6-difluoro-3-(pyridin-2-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 148557911
4-[(4-fluorophenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35025590
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093731
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide (CID 59418486) is N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide is CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)c3ccc(OC(F)F)cc3)c2F)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide?
The InChIKey is LMLGCPLTYWYGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O5S/c1-11(30)27-17-9-2-12(10-26-17)28-20(31)18-15(22)7-8-16(19(18)23)29-35(32,33)14-5-3-13(4-6-14)34-21(24)25/h2-10,21,29H,1H3,(H,28,31)(H,26,27,30).
What are the key properties of N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide?
N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide has a molecular weight of 512.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide is sourced from PubChem (CID 59418486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).