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

C19H20ClN3O5S2 — CID 54526668

IUPAC4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nc(Cl)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H20ClN3O5S2/c1-22(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(20)21-17)14-7-11-16(12-8-14)30(26,27)23(3)4/h5-12H,1-4H3
InChIKeyYTPHZYJDOWNGLT-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.16
Rot. Bonds6

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

4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 54526668) has the molecular formula C19H20ClN3O5S2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID54526668
Molecular FormulaC19H20ClN3O5S2
Molecular Weight469.97 g/mol
Exact Mass469.05
IUPAC Name4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nc(Cl)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H20ClN3O5S2/c1-22(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(20)21-17)14-7-11-16(12-8-14)30(26,27)23(3)4/h5-12H,1-4H3
InChIKeyYTPHZYJDOWNGLT-UHFFFAOYSA-N
XLogP3.16
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide (CID 54526668) is 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2nc(Cl)oc2-c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YTPHZYJDOWNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S2/c1-22(2)29(24,25)15-9-5-13(6-10-15)17-18(28-19(20)21-17)14-7-11-16(12-8-14)30(26,27)23(3)4/h5-12H,1-4H3.
What are the key properties of 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide?
4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 469.97 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 54526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).