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

C15H10BrClFNOS — CID 55590344

IUPAC(5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H10BrClFNOS/c16-9-1-3-12(18)11(7-9)15(20)19-5-6-21-14-4-2-10(17)8-13(14)19/h1-4,7-8H,5-6H2
InChIKeyLEAJRSXDKOOZJT-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.99
Rot. Bonds1

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

(5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 55590344) has the molecular formula C15H10BrClFNOS and a molecular weight of 386.67 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID55590344
Molecular FormulaC15H10BrClFNOS
Molecular Weight386.67 g/mol
Exact Mass384.93
IUPAC Name(5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H10BrClFNOS/c16-9-1-3-12(18)11(7-9)15(20)19-5-6-21-14-4-2-10(17)8-13(14)19/h1-4,7-8H,5-6H2
InChIKeyLEAJRSXDKOOZJT-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

(2-bromo-5-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 55590172
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-methylsulfanylphenyl)methanone
CID 112817949
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 52575094
2,3-dihydro-1,4-benzothiazin-4-yl-(2-fluoro-5-methylphenyl)methanone
CID 62509753
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 55589633
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-bromo-5-fluorophenyl)methanone
CID 61038023
(5-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 46653524
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 86800701
1-(6-bromo-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)ethanone
CID 84644610
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(5,8-dibromo-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166387295

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 55590344) is (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cc(Br)ccc1F)N1CCSc2ccc(Cl)cc21.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is LEAJRSXDKOOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNOS/c16-9-1-3-12(18)11(7-9)15(20)19-5-6-21-14-4-2-10(17)8-13(14)19/h1-4,7-8H,5-6H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 55590344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).