2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride

C10H12ClNO2S2 — CID 84615994

IUPAC2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride
SMILESCC1CN(C)c2ccc(S(=O)(=O)Cl)cc2S1
InChIInChI=1S/C10H12ClNO2S2/c1-7-6-12(2)9-4-3-8(16(11,13)14)5-10(9)15-7/h3-5,7H,6H2,1-2H3
InChIKeyVVWCXBNKRAHGBO-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.54
Rot. Bonds1

About 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride

2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride (PubChem CID 84615994) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride.

Molecular Properties

Compound Name2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride
PubChem CID84615994
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride
SMILESCC1CN(C)c2ccc(S(=O)(=O)Cl)cc2S1
InChIInChI=1S/C10H12ClNO2S2/c1-7-6-12(2)9-4-3-8(16(11,13)14)5-10(9)15-7/h3-5,7H,6H2,1-2H3
InChIKeyVVWCXBNKRAHGBO-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzothiazine-6-sulfonyl chloride
CID 84615998
2-methyl-2,3-dihydro-1-benzothiophene-5-sulfonyl chloride
CID 84706772
2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonyl chloride
CID 53212004
1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
CID 84705466
1-(2-methyl-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 126458902
4-acetyl-N-(3,5-dimethylphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 83272205
thianthrene-2,8-disulfonyl chloride
CID 19906721
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 126459722
4-acetyl-2-methyl-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-7-sulfonamide
CID 126458754
1-[7-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 126458753
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride?
The IUPAC name of 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride (CID 84615994) is 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride.
What is the SMILES notation for 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride?
The canonical SMILES for 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride is CC1CN(C)c2ccc(S(=O)(=O)Cl)cc2S1.
What is the InChIKey of 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride?
The InChIKey is VVWCXBNKRAHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c1-7-6-12(2)9-4-3-8(16(11,13)14)5-10(9)15-7/h3-5,7H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride?
2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride has a molecular weight of 277.80 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride is sourced from PubChem (CID 84615994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).