2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C14H14ClF3N2O3S — CID 91069802

IUPAC2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C14H14ClF3N2O3S/c1-2-10-8-19-13(23-10)5-6-20-24(21,22)12-4-3-9(7-11(12)15)14(16,17)18/h3-4,7-8,20H,2,5-6H2,1H3
InChIKeyLDAKKUIDWVWQBY-UHFFFAOYSA-N
MW382.79 g/mol
LogP3.43
Rot. Bonds6

About 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 91069802) has the molecular formula C14H14ClF3N2O3S and a molecular weight of 382.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID91069802
Molecular FormulaC14H14ClF3N2O3S
Molecular Weight382.79 g/mol
Exact Mass382.04
IUPAC Name2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cnc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C14H14ClF3N2O3S/c1-2-10-8-19-13(23-10)5-6-20-24(21,22)12-4-3-9(7-11(12)15)14(16,17)18/h3-4,7-8,20H,2,5-6H2,1H3
InChIKeyLDAKKUIDWVWQBY-UHFFFAOYSA-N
XLogP3.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 91069802) is 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is CCc1cnc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1.
What is the InChIKey of 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LDAKKUIDWVWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O3S/c1-2-10-8-19-13(23-10)5-6-20-24(21,22)12-4-3-9(7-11(12)15)14(16,17)18/h3-4,7-8,20H,2,5-6H2,1H3.
What are the key properties of 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 382.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91069802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).