4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine

C10H12ClNO2S2 — CID 107650869

IUPAC4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(CCCl)N1CCSc2ccccc21
InChIInChI=1S/C10H12ClNO2S2/c11-5-8-16(13,14)12-6-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2
InChIKeyBURUBGPTVJXGDX-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.17
Rot. Bonds3

About 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine

4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine (PubChem CID 107650869) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine
PubChem CID107650869
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine
SMILESO=S(=O)(CCCl)N1CCSc2ccccc21
InChIInChI=1S/C10H12ClNO2S2/c11-5-8-16(13,14)12-6-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2
InChIKeyBURUBGPTVJXGDX-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 64593320
4-butylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 110713059
4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 110713072
4-(2,6-dichlorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 112769096
2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)benzonitrile
CID 110713083
2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)-5-methylaniline
CID 61105637
1-(4-chlorobutylsulfonyl)-2,3-dihydroindole
CID 28704649
3-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)-4-methylaniline
CID 61106378
4-[2-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 112808751
4-(1,2-dimethylimidazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 71971944
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 75953930

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine (CID 107650869) is 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine is O=S(=O)(CCCl)N1CCSc2ccccc21.
What is the InChIKey of 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine?
The InChIKey is BURUBGPTVJXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c11-5-8-16(13,14)12-6-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2.
What are the key properties of 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine?
4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine has a molecular weight of 277.80 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfonyl)-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 107650869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).