4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine

C14H11Cl2NO2S2 — CID 112769096

IUPAC4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H11Cl2NO2S2/c15-10-4-3-5-11(16)14(10)21(18,19)17-8-9-20-13-7-2-1-6-12(13)17/h1-7H,8-9H2
InChIKeyWKPLVKDSOFKORD-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.29
Rot. Bonds2

About 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine

4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 112769096) has the molecular formula C14H11Cl2NO2S2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
PubChem CID112769096
Molecular FormulaC14H11Cl2NO2S2
Molecular Weight360.29 g/mol
Exact Mass358.96
IUPAC Name4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H11Cl2NO2S2/c15-10-4-3-5-11(16)14(10)21(18,19)17-8-9-20-13-7-2-1-6-12(13)17/h1-7H,8-9H2
InChIKeyWKPLVKDSOFKORD-UHFFFAOYSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine (CID 112769096) is 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is O=S(=O)(c1c(Cl)cccc1Cl)N1CCSc2ccccc21.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is WKPLVKDSOFKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S2/c15-10-4-3-5-11(16)14(10)21(18,19)17-8-9-20-13-7-2-1-6-12(13)17/h1-7H,8-9H2.
What are the key properties of 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine?
4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 360.29 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 112769096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).