6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide

C8H8ClNO2S — CID 10878603

IUPAC6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide
SMILESO=S1(=O)NCCc2cc(Cl)ccc21
InChIInChI=1S/C8H8ClNO2S/c9-7-1-2-8-6(5-7)3-4-10-13(8,11)12/h1-2,5,10H,3-4H2
InChIKeyXGIJUECPQQYYOR-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.17
Rot. Bonds

About 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide

6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide (PubChem CID 10878603) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide
PubChem CID10878603
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide
SMILESO=S1(=O)NCCc2cc(Cl)ccc21
InChIInChI=1S/C8H8ClNO2S/c9-7-1-2-8-6(5-7)3-4-10-13(8,11)12/h1-2,5,10H,3-4H2
InChIKeyXGIJUECPQQYYOR-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide (CID 10878603) is 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide is O=S1(=O)NCCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide?
The InChIKey is XGIJUECPQQYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-7-1-2-8-6(5-7)3-4-10-13(8,11)12/h1-2,5,10H,3-4H2.
What are the key properties of 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide?
6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide has a molecular weight of 217.68 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-2H-1lambda6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 10878603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).