1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H10Cl2N2O3S — CID 75522830

IUPAC1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeyXFRYZNKILSQIIY-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.23
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide

1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 75522830) has the molecular formula C11H10Cl2N2O3S and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID75522830
Molecular FormulaC11H10Cl2N2O3S
Molecular Weight321.19 g/mol
Exact Mass319.98
IUPAC Name1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1conc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeyXFRYZNKILSQIIY-UHFFFAOYSA-N
XLogP3.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 75522830) is 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1conc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is XFRYZNKILSQIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3S/c1-7-5-18-14-11(7)15-19(16,17)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide?
1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 321.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(4-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 75522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).