2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C12H12Cl2N2O3S — CID 47359139

IUPAC2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(Cl)cccc2Cl)oc1C
InChIInChI=1S/C12H12Cl2N2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,15H,6H2,1-2H3
InChIKeyDGPUXJPAHLNNED-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.08
Rot. Bonds4

About 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 47359139) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID47359139
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(Cl)cccc2Cl)oc1C
InChIInChI=1S/C12H12Cl2N2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,15H,6H2,1-2H3
InChIKeyDGPUXJPAHLNNED-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 47359139) is 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2Cl)oc1C.
What is the InChIKey of 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is DGPUXJPAHLNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-7-8(2)19-11(16-7)6-15-20(17,18)12-9(13)4-3-5-10(12)14/h3-5,15H,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 335.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47359139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).