(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C15H12BrNOS — CID 51155277

IUPAC(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCSc2ccccc21
InChIInChI=1S/C15H12BrNOS/c16-12-5-3-4-11(10-12)15(18)17-8-9-19-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2
InChIKeyIISJVNBYKBZTBP-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.20
Rot. Bonds1

About (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 51155277) has the molecular formula C15H12BrNOS and a molecular weight of 334.24 g/mol. Its IUPAC name is (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID51155277
Molecular FormulaC15H12BrNOS
Molecular Weight334.24 g/mol
Exact Mass332.98
IUPAC Name(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCSc2ccccc21
InChIInChI=1S/C15H12BrNOS/c16-12-5-3-4-11(10-12)15(18)17-8-9-19-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2
InChIKeyIISJVNBYKBZTBP-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1,4-benzothiazin-4-yl-(3-methoxyphenyl)methanone
CID 47005086
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103756375
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
2,3-dihydro-1,4-benzothiazin-4-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998704
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51257923
2-(3-bromophenoxy)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 112781455
N-cyclopropyl-3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)benzenesulfonamide
CID 55359967
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 51155277) is (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cccc(Br)c1)N1CCSc2ccccc21.
What is the InChIKey of (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is IISJVNBYKBZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNOS/c16-12-5-3-4-11(10-12)15(18)17-8-9-19-14-7-2-1-6-13(14)17/h1-7,10H,8-9H2.
What are the key properties of (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 334.24 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 51155277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).