5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine

C14H11ClFNS — CID 57414715

IUPAC5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1cc(Cl)c2c(c1)SCC(c1ccccc1)N2
InChIInChI=1S/C14H11ClFNS/c15-11-6-10(16)7-13-14(11)17-12(8-18-13)9-4-2-1-3-5-9/h1-7,12,17H,8H2
InChIKeyBIUYWNIFXNUMSA-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.74
Rot. Bonds1

About 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine

5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 57414715) has the molecular formula C14H11ClFNS and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID57414715
Molecular FormulaC14H11ClFNS
Molecular Weight279.77 g/mol
Exact Mass279.03
IUPAC Name5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1cc(Cl)c2c(c1)SCC(c1ccccc1)N2
InChIInChI=1S/C14H11ClFNS/c15-11-6-10(16)7-13-14(11)17-12(8-18-13)9-4-2-1-3-5-9/h1-7,12,17H,8H2
InChIKeyBIUYWNIFXNUMSA-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine (CID 57414715) is 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is Fc1cc(Cl)c2c(c1)SCC(c1ccccc1)N2.
What is the InChIKey of 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is BIUYWNIFXNUMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNS/c15-11-6-10(16)7-13-14(11)17-12(8-18-13)9-4-2-1-3-5-9/h1-7,12,17H,8H2.
What are the key properties of 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine?
5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 279.77 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-phenyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 57414715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).