N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

C22H19N3O5S2 — CID 19258675

IUPACN-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H19N3O5S2/c1-23-31(26,27)19-13-9-18(10-14-19)25-32(28,29)20-11-7-17(8-12-20)22-24-15-21(30-22)16-5-3-2-4-6-16/h2-15,23,25H,1H3
InChIKeyYJLCMYHPSZJRIJ-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.72
Rot. Bonds7

About N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide

N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 19258675) has the molecular formula C22H19N3O5S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID19258675
Molecular FormulaC22H19N3O5S2
Molecular Weight469.54 g/mol
Exact Mass469.08
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C22H19N3O5S2/c1-23-31(26,27)19-13-9-18(10-14-19)25-32(28,29)20-11-7-17(8-12-20)22-24-15-21(30-22)16-5-3-2-4-6-16/h2-15,23,25H,1H3
InChIKeyYJLCMYHPSZJRIJ-UHFFFAOYSA-N
XLogP3.72
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 19258675) is N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is YJLCMYHPSZJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S2/c1-23-31(26,27)19-13-9-18(10-14-19)25-32(28,29)20-11-7-17(8-12-20)22-24-15-21(30-22)16-5-3-2-4-6-16/h2-15,23,25H,1H3.
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide?
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 469.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 19258675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).