N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide

C22H20F3N3O4S — CID 121251564

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(F)c2F)c1
InChIInChI=1S/C22H20F3N3O4S/c1-12(2)11-32-15-9-13(8-14(23)10-15)16-6-7-17(21(25)20(16)24)22(29)28-33(30,31)19-5-3-4-18(26)27-19/h3-10,12H,11H2,1-2H3,(H2,26,27)(H,28,29)
InChIKeyOKAKEUYFCIQQNI-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.90
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide (PubChem CID 121251564) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide
PubChem CID121251564
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(F)c2F)c1
InChIInChI=1S/C22H20F3N3O4S/c1-12(2)11-32-15-9-13(8-14(23)10-15)16-6-7-17(21(25)20(16)24)22(29)28-33(30,31)19-5-3-4-18(26)27-19/h3-10,12H,11H2,1-2H3,(H2,26,27)(H,28,29)
InChIKeyOKAKEUYFCIQQNI-UHFFFAOYSA-N
XLogP3.90
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide (CID 121251564) is N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(F)c2F)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is OKAKEUYFCIQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-12(2)11-32-15-9-13(8-14(23)10-15)16-6-7-17(21(25)20(16)24)22(29)28-33(30,31)19-5-3-4-18(26)27-19/h3-10,12H,11H2,1-2H3,(H2,26,27)(H,28,29).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 479.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2,3-difluoro-4-[3-fluoro-5-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 121251564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).