7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide

C8H8ClNOS — CID 70482773

IUPAC7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide
SMILESO=S1NCCc2ccc(Cl)cc21
InChIInChI=1S/C8H8ClNOS/c9-7-2-1-6-3-4-10-12(11)8(6)5-7/h1-2,5,10H,3-4H2
InChIKeyLGINAXNGTRZMOU-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.51
Rot. Bonds

About 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide

7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide (PubChem CID 70482773) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide.

Molecular Properties

Compound Name7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide
PubChem CID70482773
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide
SMILESO=S1NCCc2ccc(Cl)cc21
InChIInChI=1S/C8H8ClNOS/c9-7-2-1-6-3-4-10-12(11)8(6)5-7/h1-2,5,10H,3-4H2
InChIKeyLGINAXNGTRZMOU-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide?
The IUPAC name of 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide (CID 70482773) is 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide.
What is the SMILES notation for 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide?
The canonical SMILES for 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide is O=S1NCCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide?
The InChIKey is LGINAXNGTRZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-7-2-1-6-3-4-10-12(11)8(6)5-7/h1-2,5,10H,3-4H2.
What are the key properties of 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide?
7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide has a molecular weight of 201.68 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,4-dihydro-2H-1λ4,2-benzothiazine 1-oxide is sourced from PubChem (CID 70482773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).