5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide

C19H21Cl2FN4O4S — CID 72948706

IUPAC5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(N3CCCCC3)c(Cl)c2)cc1F
InChIInChI=1S/C19H21Cl2FN4O4S/c1-25(2)31(28,29)24-19(27)13-9-14(20)17(10-16(13)22)30-12-8-15(21)18(23-11-12)26-6-4-3-5-7-26/h8-11H,3-7H2,1-2H3,(H,24,27)
InChIKeyHASFAISHEWDIGY-UHFFFAOYSA-N
MW491.37 g/mol
LogP3.85
Rot. Bonds6

About 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide

5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 72948706) has the molecular formula C19H21Cl2FN4O4S and a molecular weight of 491.37 g/mol. Its IUPAC name is 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID72948706
Molecular FormulaC19H21Cl2FN4O4S
Molecular Weight491.37 g/mol
Exact Mass490.06
IUPAC Name5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(N3CCCCC3)c(Cl)c2)cc1F
InChIInChI=1S/C19H21Cl2FN4O4S/c1-25(2)31(28,29)24-19(27)13-9-14(20)17(10-16(13)22)30-12-8-15(21)18(23-11-12)26-6-4-3-5-7-26/h8-11H,3-7H2,1-2H3,(H,24,27)
InChIKeyHASFAISHEWDIGY-UHFFFAOYSA-N
XLogP3.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide (CID 72948706) is 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide is CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(Oc2cnc(N3CCCCC3)c(Cl)c2)cc1F.
What is the InChIKey of 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is HASFAISHEWDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN4O4S/c1-25(2)31(28,29)24-19(27)13-9-14(20)17(10-16(13)22)30-12-8-15(21)18(23-11-12)26-6-4-3-5-7-26/h8-11H,3-7H2,1-2H3,(H,24,27).
What are the key properties of 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide?
5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 491.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)oxy]-N-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 72948706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).