N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen

C20H25FN2O4S — CID 144581823

IUPACN-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC4CCC3O4)c2)ccc1F.[H][H].[H][H]
InChIInChI=1S/C20H21FN2O4S.2H2/c1-12-9-14(5-7-17(12)21)22-20(24)13-3-2-4-16(10-13)28(25,26)23-18-11-15-6-8-19(18)27-15;;/h2-5,7,9-10,15,18-19,23H,6,8,11H2,1H3,(H,22,24);2*1H
InChIKeyIOGKMGHKZZOHAA-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.48
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen

N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen (PubChem CID 144581823) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
PubChem CID144581823
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC4CCC3O4)c2)ccc1F.[H][H].[H][H]
InChIInChI=1S/C20H21FN2O4S.2H2/c1-12-9-14(5-7-17(12)21)22-20(24)13-3-2-4-16(10-13)28(25,26)23-18-11-15-6-8-19(18)27-15;;/h2-5,7,9-10,15,18-19,23H,6,8,11H2,1H3,(H,22,24);2*1H
InChIKeyIOGKMGHKZZOHAA-UHFFFAOYSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen (CID 144581823) is N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC4CCC3O4)c2)ccc1F.[H][H].[H][H].
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen?
The InChIKey is IOGKMGHKZZOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S.2H2/c1-12-9-14(5-7-17(12)21)22-20(24)13-3-2-4-16(10-13)28(25,26)23-18-11-15-6-8-19(18)27-15;;/h2-5,7,9-10,15,18-19,23H,6,8,11H2,1H3,(H,22,24);2*1H.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen?
N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen has a molecular weight of 408.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)benzamide;molecular hydrogen is sourced from PubChem (CID 144581823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).