6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine

C9H10ClNO2S2 — CID 91662295

IUPAC6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCS(=O)(=O)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO2S2/c1-15(12,13)11-4-5-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyNDEZDGLHPZJMAT-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.21
Rot. Bonds1

About 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine

6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 91662295) has the molecular formula C9H10ClNO2S2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
PubChem CID91662295
Molecular FormulaC9H10ClNO2S2
Molecular Weight263.77 g/mol
Exact Mass262.98
IUPAC Name6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
SMILESCS(=O)(=O)N1CCSc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO2S2/c1-15(12,13)11-4-5-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyNDEZDGLHPZJMAT-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-methyl-2,3-dihydro-1,4-benzothiazine-4-sulfonamide
CID 114804639
2-chloro-5-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethylbenzenesulfonamide
CID 55590090
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3,4-dimethylphenyl)methanone
CID 52575095
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 55589633
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 52575094
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55589729
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 55589458
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(2-methylsulfanylphenyl)methanone
CID 112817949
2-chloro-1-(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 166404304
N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55589821
4-ethylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 64593320
7-chloro-4-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 134124570

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine (CID 91662295) is 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine is CS(=O)(=O)N1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is NDEZDGLHPZJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S2/c1-15(12,13)11-4-5-14-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine?
6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 263.77 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 91662295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).