4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide

C18H20ClF2N3O5S — CID 71616019

IUPAC4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
SMILESCC(C)Oc1ncc(OCc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2F)cc1Cl
InChIInChI=1S/C18H20ClF2N3O5S/c1-10(2)29-18-14(19)6-12(8-22-18)28-9-11-5-16(21)13(7-15(11)20)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25)
InChIKeyQJZDONSABXRZAN-UHFFFAOYSA-N
MW463.89 g/mol
LogP2.92
Rot. Bonds8

About 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide

4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide (PubChem CID 71616019) has the molecular formula C18H20ClF2N3O5S and a molecular weight of 463.89 g/mol. Its IUPAC name is 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
PubChem CID71616019
Molecular FormulaC18H20ClF2N3O5S
Molecular Weight463.89 g/mol
Exact Mass463.08
IUPAC Name4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
SMILESCC(C)Oc1ncc(OCc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2F)cc1Cl
InChIInChI=1S/C18H20ClF2N3O5S/c1-10(2)29-18-14(19)6-12(8-22-18)28-9-11-5-16(21)13(7-15(11)20)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25)
InChIKeyQJZDONSABXRZAN-UHFFFAOYSA-N
XLogP2.92
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide 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
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
US10071957, Example 87
CID 90021555
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-(2,5-difluorophenoxy)-3-pyridinyl)-2-fluoro-5-methoxy-N-(methylsulfonyl)benzamide
CID 117993993
4-(5-chloro-6-isobutoxypyridin-3-yl)-2,5-difluoro-N-(methylsulfonyl)benzamide
CID 117993998
4-(5-chloro-6-((4-chlorobenzyl)oxy)pyridin-3-yl)-3-methoxy-N-(methylsulfonyl)benzamide
CID 117994021
US9663508, Example 363
CID 122422402
4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-3-fluoro-N-methylsulfonylbenzamide
CID 155516676
3-chloro-4-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-N-methylsulfonylbenzamide
CID 155517129

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The IUPAC name of 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide (CID 71616019) is 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The canonical SMILES for 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide is CC(C)Oc1ncc(OCc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2F)cc1Cl.
What is the InChIKey of 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
The InChIKey is QJZDONSABXRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N3O5S/c1-10(2)29-18-14(19)6-12(8-22-18)28-9-11-5-16(21)13(7-15(11)20)17(25)23-30(26,27)24(3)4/h5-8,10H,9H2,1-4H3,(H,23,25).
What are the key properties of 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide?
4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide has a molecular weight of 463.89 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide is sourced from PubChem (CID 71616019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).