N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide

C13H12F3N3O3S — CID 154653190

IUPACN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn2c1OCCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)9-2-4-10(5-3-9)23(20,21)18-11-8-17-19-6-1-7-22-12(11)19/h2-5,8,18H,1,6-7H2
InChIKeyHVCAPSCDTAVBNU-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.49
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 154653190) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID154653190
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC NameN-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn2c1OCCC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)9-2-4-10(5-3-9)23(20,21)18-11-8-17-19-6-1-7-22-12(11)19/h2-5,8,18H,1,6-7H2
InChIKeyHVCAPSCDTAVBNU-UHFFFAOYSA-N
XLogP2.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 154653190) is N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnn2c1OCCC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HVCAPSCDTAVBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c14-13(15,16)9-2-4-10(5-3-9)23(20,21)18-11-8-17-19-6-1-7-22-12(11)19/h2-5,8,18H,1,6-7H2.
What are the key properties of N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154653190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).