(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C15H10BrClFNOS — CID 55590172

IUPAC(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H10BrClFNOS/c16-12-3-2-10(18)8-11(12)15(20)19-5-6-21-14-4-1-9(17)7-13(14)19/h1-4,7-8H,5-6H2
InChIKeySNJFMPIJNQGFRT-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.99
Rot. Bonds1

About (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 55590172) has the molecular formula C15H10BrClFNOS and a molecular weight of 386.67 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID55590172
Molecular FormulaC15H10BrClFNOS
Molecular Weight386.67 g/mol
Exact Mass384.93
IUPAC Name(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(F)ccc1Br)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H10BrClFNOS/c16-12-3-2-10(18)8-11(12)15(20)19-5-6-21-14-4-1-9(17)7-13(14)19/h1-4,7-8H,5-6H2
InChIKeySNJFMPIJNQGFRT-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-(3-fluorophenyl)methanone
CID 11132658
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 40034981
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3,5-difluorophenyl)methanone
CID 45875886
2-chloro-10-(4-fluorobenzoyl)-10H-phenothiazine
CID 1034804
(2-Chlorophenothiazin-10-yl)-(2-fluorophenyl)methanone
CID 24285360
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-fluoro-4-methylphenyl)methanone
CID 40034940
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3,4-difluorophenyl)methanone
CID 45875880
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,4-difluorophenyl)methanone
CID 45875899
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-fluorophenyl)methanone
CID 45875902
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-fluorophenyl)methanone
CID 45875909
(6-Chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(4-fluorophenyl)methanone
CID 45875910
(5-Chloro-2-fluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51230274

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 55590172) is (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cc(F)ccc1Br)N1CCSc2ccc(Cl)cc21.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is SNJFMPIJNQGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNOS/c16-12-3-2-10(18)8-11(12)15(20)19-5-6-21-14-4-1-9(17)7-13(14)19/h1-4,7-8H,5-6H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 386.67 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 55590172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).