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

C11H12N2O3S — CID 122187166

IUPAC2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C11H12N2O3S/c1-7-3-4-9(5-11(7)17(12,14)15)10-6-13-8(2)16-10/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyPOKIIWSBPGJNOV-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.61
Rot. Bonds2

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

2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 122187166) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID122187166
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1
InChIInChI=1S/C11H12N2O3S/c1-7-3-4-9(5-11(7)17(12,14)15)10-6-13-8(2)16-10/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyPOKIIWSBPGJNOV-UHFFFAOYSA-N
XLogP1.61
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 122187166) is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(N)(=O)=O)c2)o1.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is POKIIWSBPGJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7-3-4-9(5-11(7)17(12,14)15)10-6-13-8(2)16-10/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122187166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).