4-benzyl-7-chloro-1,4-benzothiazin-3-one

C15H12ClNOS — CID 25111985

IUPAC4-benzyl-7-chloro-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C15H12ClNOS/c16-12-6-7-13-14(8-12)19-10-15(18)17(13)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHKJATXIXTVDUGC-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.98
Rot. Bonds2

About 4-benzyl-7-chloro-1,4-benzothiazin-3-one

4-benzyl-7-chloro-1,4-benzothiazin-3-one (PubChem CID 25111985) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-benzyl-7-chloro-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-benzyl-7-chloro-1,4-benzothiazin-3-one
PubChem CID25111985
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name4-benzyl-7-chloro-1,4-benzothiazin-3-one
SMILESO=C1CSc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C15H12ClNOS/c16-12-6-7-13-14(8-12)19-10-15(18)17(13)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyHKJATXIXTVDUGC-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-chloro-1,4-benzothiazin-3-one?
The IUPAC name of 4-benzyl-7-chloro-1,4-benzothiazin-3-one (CID 25111985) is 4-benzyl-7-chloro-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-benzyl-7-chloro-1,4-benzothiazin-3-one?
The canonical SMILES for 4-benzyl-7-chloro-1,4-benzothiazin-3-one is O=C1CSc2cc(Cl)ccc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-chloro-1,4-benzothiazin-3-one?
The InChIKey is HKJATXIXTVDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c16-12-6-7-13-14(8-12)19-10-15(18)17(13)9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 4-benzyl-7-chloro-1,4-benzothiazin-3-one?
4-benzyl-7-chloro-1,4-benzothiazin-3-one has a molecular weight of 289.79 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-chloro-1,4-benzothiazin-3-one is sourced from PubChem (CID 25111985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).