N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide

C21H23ClFN3O5S — CID 90021555

IUPACN-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide
SMILESCC(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)cc1Cl
InChIInChI=1S/C21H23ClFN3O5S/c1-12(2)30-21-17(22)8-14(11-24-21)31-19-10-18(23)16(9-15(19)13-4-5-13)20(27)25-32(28,29)26-6-3-7-26/h8-13H,3-7H2,1-2H3,(H,25,27)
InChIKeyFTFVFAHJHJQWBC-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.01
Rot. Bonds8

About N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide

N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide (PubChem CID 90021555) has the molecular formula C21H23ClFN3O5S and a molecular weight of 483.95 g/mol. Its IUPAC name is N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide
PubChem CID90021555
Molecular FormulaC21H23ClFN3O5S
Molecular Weight483.95 g/mol
Exact Mass483.10
IUPAC NameN-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide
SMILESCC(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)cc1Cl
InChIInChI=1S/C21H23ClFN3O5S/c1-12(2)30-21-17(22)8-14(11-24-21)31-19-10-18(23)16(9-15(19)13-4-5-13)20(27)25-32(28,29)26-6-3-7-26/h8-13H,3-7H2,1-2H3,(H,25,27)
InChIKeyFTFVFAHJHJQWBC-UHFFFAOYSA-N
XLogP4.01
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide with MolForge

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Related Compounds

N-(azetidin-1-ylsulfonyl)-5-chloro-4-{[(5-chloro-6-cyclopropylpyridin-3-yl)oxy]methyl}-2-fluorobenzamide
CID 71582572
4-{[(5-Chloro-6-isopropoxypyridin-3-yl)oxy]methyl}-N-[(dimethylamino)sulfonyl]-2,5-difluorobenzamide
CID 71616019
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-(methylsulfamoyl)benzamide
CID 72949434
N-(azetidin-1-ylsulfonyl)-5-chloro-4-[5-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-yl]oxy-2-fluorobenzamide
CID 89683010
US9663508, Example 702
CID 117993874
4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
CID 117993884
4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonyl-3-(trifluoromethoxy)benzamide
CID 155550095
4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
CID 155557620
4-(5-chloro-6-cyclobutyloxy-3-pyridinyl)-3-methoxy-N-methylsulfonylbenzamide
CID 155568180
US10071957, Example 65
CID 72948526
US10071957, Example 66
CID 72948527
US10071957, Example 67
CID 72948528

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide (CID 90021555) is N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide is CC(C)Oc1ncc(Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)cc1Cl.
What is the InChIKey of N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is FTFVFAHJHJQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O5S/c1-12(2)30-21-17(22)8-14(11-24-21)31-19-10-18(23)16(9-15(19)13-4-5-13)20(27)25-32(28,29)26-6-3-7-26/h8-13H,3-7H2,1-2H3,(H,25,27).
What are the key properties of N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide?
N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 483.95 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-ylsulfonyl)-4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxy]-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 90021555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).