6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C8H7Cl2NO2S — CID 105357315

IUPAC6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2NO2S/c9-5-3-7-8(4-6(5)10)14(12,13)2-1-11-7/h3-4,11H,1-2H2
InChIKeyQXMYGXASNDECPW-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.19
Rot. Bonds

About 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 105357315) has the molecular formula C8H7Cl2NO2S and a molecular weight of 252.12 g/mol. Its IUPAC name is 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID105357315
Molecular FormulaC8H7Cl2NO2S
Molecular Weight252.12 g/mol
Exact Mass250.96
IUPAC Name6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESO=S1(=O)CCNc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2NO2S/c9-5-3-7-8(4-6(5)10)14(12,13)2-1-11-7/h3-4,11H,1-2H2
InChIKeyQXMYGXASNDECPW-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-7-carboxylic acid
CID 115096119
7-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621580
7,8-dichloro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014766
7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
CID 105357322
7-(4-tert-butylphenyl)-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 126652824
7-iodo-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine 1,1-dioxide
CID 105357326
N-methyl-N-[(7-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-6-yl)carbamoyl]formamide
CID 142210392
8-chloro-1,1-dioxo-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 105357096
6-chloro-7-methyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 58879454
1,1-dioxo-2,3,4,5-tetrahydro-1λ6,5-benzothiazepine-8-carboxylic acid
CID 115098802
1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-8-amine
CID 115095942
1,1-dioxo-3,4-dihydro-2H-thieno[2,3-f][1,4]thiazepin-5-one
CID 168888586

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 105357315) is 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is O=S1(=O)CCNc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is QXMYGXASNDECPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2S/c9-5-3-7-8(4-6(5)10)14(12,13)2-1-11-7/h3-4,11H,1-2H2.
What are the key properties of 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 252.12 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 105357315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).