3-(4-bromophenyl)-4H-1,4-benzothiazine

C14H10BrNS — CID 2798221

IUPAC3-(4-bromophenyl)-4H-1,4-benzothiazine
SMILESBrc1ccc(C2=CSc3ccccc3N2)cc1
InChIInChI=1S/C14H10BrNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H
InChIKeyJZJYWFMWERHXKX-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.97
Rot. Bonds1

About 3-(4-bromophenyl)-4H-1,4-benzothiazine

3-(4-bromophenyl)-4H-1,4-benzothiazine (PubChem CID 2798221) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4H-1,4-benzothiazine
PubChem CID2798221
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name3-(4-bromophenyl)-4H-1,4-benzothiazine
SMILESBrc1ccc(C2=CSc3ccccc3N2)cc1
InChIInChI=1S/C14H10BrNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H
InChIKeyJZJYWFMWERHXKX-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4H-1,4-benzothiazine?
The IUPAC name of 3-(4-bromophenyl)-4H-1,4-benzothiazine (CID 2798221) is 3-(4-bromophenyl)-4H-1,4-benzothiazine.
What is the SMILES notation for 3-(4-bromophenyl)-4H-1,4-benzothiazine?
The canonical SMILES for 3-(4-bromophenyl)-4H-1,4-benzothiazine is Brc1ccc(C2=CSc3ccccc3N2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4H-1,4-benzothiazine?
The InChIKey is JZJYWFMWERHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H.
What are the key properties of 3-(4-bromophenyl)-4H-1,4-benzothiazine?
3-(4-bromophenyl)-4H-1,4-benzothiazine has a molecular weight of 304.21 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4H-1,4-benzothiazine is sourced from PubChem (CID 2798221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).