4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide

C19H21N3O6S2 — CID 134126253

IUPAC4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2[nH]c(=O)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O6S2/c1-21(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(23)20-17)14-7-11-16(12-8-14)30(26,27)22(3)4/h5-12H,1-4H3,(H,20,23)
InChIKeyLGNIQCBMPZNBFJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.80
Rot. Bonds6

About 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide

4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 134126253) has the molecular formula C19H21N3O6S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID134126253
Molecular FormulaC19H21N3O6S2
Molecular Weight451.53 g/mol
Exact Mass451.09
IUPAC Name4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2[nH]c(=O)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O6S2/c1-21(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(23)20-17)14-7-11-16(12-8-14)30(26,27)22(3)4/h5-12H,1-4H3,(H,20,23)
InChIKeyLGNIQCBMPZNBFJ-UHFFFAOYSA-N
XLogP1.80
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 134126253) is 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2[nH]c(=O)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LGNIQCBMPZNBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S2/c1-21(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(23)20-17)14-7-11-16(12-8-14)30(26,27)22(3)4/h5-12H,1-4H3,(H,20,23).
What are the key properties of 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 451.53 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylsulfamoyl)phenyl]-2-oxo-3H-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 134126253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).