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

C12H13FN2O3S — CID 7436909

IUPACN-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1F
InChIInChI=1S/C12H13FN2O3S/c1-7-4-5-10(6-11(7)13)15-19(16,17)12-8(2)14-18-9(12)3/h4-6,15H,1-3H3
InChIKeyPGSVSAUIULNLGN-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.54
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 7436909) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID7436909
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1F
InChIInChI=1S/C12H13FN2O3S/c1-7-4-5-10(6-11(7)13)15-19(16,17)12-8(2)14-18-9(12)3/h4-6,15H,1-3H3
InChIKeyPGSVSAUIULNLGN-UHFFFAOYSA-N
XLogP2.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 7436909) is N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PGSVSAUIULNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-7-4-5-10(6-11(7)13)15-19(16,17)12-8(2)14-18-9(12)3/h4-6,15H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 284.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7436909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).