2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one

C15H8F3NOS — CID 58610099

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2ccc(C(F)(F)F)cc2)sc2ccccc12
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)10-7-5-9(6-8-10)14-19-13(20)11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyLJHYBNRJHGMNQU-UHFFFAOYSA-N
MW307.30 g/mol
LogP4.34
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one

2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one (PubChem CID 58610099) has the molecular formula C15H8F3NOS and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one
PubChem CID58610099
Molecular FormulaC15H8F3NOS
Molecular Weight307.30 g/mol
Exact Mass307.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one
SMILESO=c1nc(-c2ccc(C(F)(F)F)cc2)sc2ccccc12
InChIInChI=1S/C15H8F3NOS/c16-15(17,18)10-7-5-9(6-8-10)14-19-13(20)11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyLJHYBNRJHGMNQU-UHFFFAOYSA-N
XLogP4.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-oxo-1,3-benzothiazin-2-yl)benzonitrile
CID 58610096
2-anthracen-2-yl-1,3-benzothiazin-4-one
CID 71426550
2-quinolin-3-yl-1,3-benzothiazin-4-one
CID 59750384
2-[6-(benzylamino)-3-pyridinyl]-1,3-benzothiazin-4-one
CID 59750226
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890
14,21-bis[4-(trifluoromethyl)phenyl]-6,8-dithiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,9,11,13,15,17,19-nonaen-7-one
CID 102097400
5-[4-(trifluoromethyl)phenyl]-1,2,4-dithiazol-3-one
CID 124928452
2-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 171056615
2-[4-[6-[6-[4-(trifluoromethyl)phenyl]phenanthridin-3-yl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850347
2-(4-chlorophenyl)-1,3-benzothiazine-4-thione
CID 14743827
2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]dibenzothiophene
CID 171056317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one (CID 58610099) is 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one is O=c1nc(-c2ccc(C(F)(F)F)cc2)sc2ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one?
The InChIKey is LJHYBNRJHGMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NOS/c16-15(17,18)10-7-5-9(6-8-10)14-19-13(20)11-3-1-2-4-12(11)21-14/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one?
2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one has a molecular weight of 307.30 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazin-4-one is sourced from PubChem (CID 58610099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).