2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

C10H9ClN2O3S — CID 84599405

IUPAC2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H9ClN2O3S/c1-7-2-3-8(11)9(6-7)17(14,15)13-10-4-5-16-12-10/h2-6H,1H3,(H,12,13)
InChIKeyZLKYCLYQQWAZBU-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 84599405) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID84599405
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)Nc2ccon2)c1
InChIInChI=1S/C10H9ClN2O3S/c1-7-2-3-8(11)9(6-7)17(14,15)13-10-4-5-16-12-10/h2-6H,1H3,(H,12,13)
InChIKeyZLKYCLYQQWAZBU-UHFFFAOYSA-N
XLogP2.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 84599405) is 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)Nc2ccon2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ZLKYCLYQQWAZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-7-2-3-8(11)9(6-7)17(14,15)13-10-4-5-16-12-10/h2-6H,1H3,(H,12,13).
What are the key properties of 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 272.71 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 84599405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).