2,3-dihydro-1,2-benzothiazole 1,1-dioxide

C7H7NO2S — CID 13638

IUPAC2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2ccccc21
InChIInChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2
InChIKeyGVYVHZKTSVDMNT-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.48
Rot. Bonds

About 2,3-dihydro-1,2-benzothiazole 1,1-dioxide

2,3-dihydro-1,2-benzothiazole 1,1-dioxide (PubChem CID 13638) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2,3-dihydro-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2,3-dihydro-1,2-benzothiazole 1,1-dioxide
PubChem CID13638
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2,3-dihydro-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)NCc2ccccc21
InChIInChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2
InChIKeyGVYVHZKTSVDMNT-UHFFFAOYSA-N
XLogP0.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mafenide
CID 3998
Mafenide Hydrochloride
CID 67313
Benzenesulfonamide, N-benzyl-
CID 95236
2-(Aminomethyl)benzene-1-sulfonamide
CID 16795163
1,1-Dioxo-1,2-benzothiazole-3-thione
CID 3035171
2-(aminomethyl)-N-tert-butylbenzene-1-sulfonamide
CID 16784186
2-(aminomethyl)-N-methylbenzene-1-sulfonamide
CID 12380022
2-(aminomethyl)-N,N-dimethylbenzene-1-sulfonamide
CID 16227636
2-(Aminomethyl)benzene-1-sulfonamide hydrochloride
CID 18429384
3-(Aminomethyl)benzenesulfonamide hydrochloride
CID 42941915
5-Bromo-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione
CID 70654953
1,2-Benzisothiazole, 6-bromo-2,3-dihydro-, 1,1-dioxide
CID 89471989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2,3-dihydro-1,2-benzothiazole 1,1-dioxide (CID 13638) is 2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2,3-dihydro-1,2-benzothiazole 1,1-dioxide is O=S1(=O)NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
The InChIKey is GVYVHZKTSVDMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2.
What are the key properties of 2,3-dihydro-1,2-benzothiazole 1,1-dioxide?
2,3-dihydro-1,2-benzothiazole 1,1-dioxide has a molecular weight of 169.21 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 13638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).