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

C12H14N2O3S — CID 6468668

IUPAC2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C12H14N2O3S/c1-8-4-5-9(2)11(6-8)18(15,16)14-12-7-10(3)17-13-12/h4-7H,1-3H3,(H,13,14)
InChIKeyYYWVIPJSJVMLNP-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.40
Rot. Bonds3

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

2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 6468668) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID6468668
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C12H14N2O3S/c1-8-4-5-9(2)11(6-8)18(15,16)14-12-7-10(3)17-13-12/h4-7H,1-3H3,(H,13,14)
InChIKeyYYWVIPJSJVMLNP-UHFFFAOYSA-N
XLogP2.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 6468668) is 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is YYWVIPJSJVMLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-4-5-9(2)11(6-8)18(15,16)14-12-7-10(3)17-13-12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 6468668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).