N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide

C14H13F3N2O4S — CID 126782691

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1noc(C2CC2)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O4S/c1-8-12(13(23-18-8)9-5-6-9)19-24(20,21)11-4-2-3-10(7-11)22-14(15,16)17/h2-4,7,9,19H,5-6H2,1H3
InChIKeyYDTRRDZOWOTCMF-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.56
Rot. Bonds5

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 126782691) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID126782691
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1noc(C2CC2)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O4S/c1-8-12(13(23-18-8)9-5-6-9)19-24(20,21)11-4-2-3-10(7-11)22-14(15,16)17/h2-4,7,9,19H,5-6H2,1H3
InChIKeyYDTRRDZOWOTCMF-UHFFFAOYSA-N
XLogP3.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide (CID 126782691) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide is Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YDTRRDZOWOTCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c1-8-12(13(23-18-8)9-5-6-9)19-24(20,21)11-4-2-3-10(7-11)22-14(15,16)17/h2-4,7,9,19H,5-6H2,1H3.
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 126782691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).