N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide

C13H16N2O3S — CID 6619309

IUPACN,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H16N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h5-8H,1-4H3
InChIKeyFQAUKRYACXXPJS-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.42
Rot. Bonds3

About N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 6619309) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID6619309
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C13H16N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h5-8H,1-4H3
InChIKeyFQAUKRYACXXPJS-UHFFFAOYSA-N
XLogP2.42
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide (CID 6619309) is N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is FQAUKRYACXXPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-6-5-7-12(8-9)15(4)19(16,17)13-10(2)14-18-11(13)3/h5-8H,1-4H3.
What are the key properties of N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6619309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).