N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

C12H11F3N2O3S — CID 18617399

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C12H11F3N2O3S/c1-7-8(2)16-20-11(7)17-21(18,19)10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyMZXYNFAKPGAGQK-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.11
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 18617399) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID18617399
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C12H11F3N2O3S/c1-7-8(2)16-20-11(7)17-21(18,19)10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyMZXYNFAKPGAGQK-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 18617399) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MZXYNFAKPGAGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-7-8(2)16-20-11(7)17-21(18,19)10-5-3-9(4-6-10)12(13,14)15/h3-6,17H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 320.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18617399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).