4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C15H10Cl2N2O3S — CID 139808306

IUPAC4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ocnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-12-6-3-10(7-13(12)17)14-15(22-8-19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21)
InChIKeyXZMHTXOFMNFVCZ-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.96
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 139808306) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID139808306
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ocnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-12-6-3-10(7-13(12)17)14-15(22-8-19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21)
InChIKeyXZMHTXOFMNFVCZ-UHFFFAOYSA-N
XLogP3.96
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 139808306) is 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ocnc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is XZMHTXOFMNFVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c16-12-6-3-10(7-13(12)17)14-15(22-8-19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 369.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 139808306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).