5-chloro-1,3-benzothiazole-2-sulfonamide

C7H5ClN2O2S2 — CID 71551260

IUPAC5-chloro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C7H5ClN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyDZIMJDKDCOZLEK-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.60
Rot. Bonds1

About 5-chloro-1,3-benzothiazole-2-sulfonamide

5-chloro-1,3-benzothiazole-2-sulfonamide (PubChem CID 71551260) has the molecular formula C7H5ClN2O2S2 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-chloro-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-benzothiazole-2-sulfonamide
PubChem CID71551260
Molecular FormulaC7H5ClN2O2S2
Molecular Weight248.72 g/mol
Exact Mass247.95
IUPAC Name5-chloro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C7H5ClN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyDZIMJDKDCOZLEK-UHFFFAOYSA-N
XLogP1.60
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1,3-benzothiazole-2-sulfonamide
CID 178107830
2-amino-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfonylamino]butanoic acid
CID 142667521
2,2-dimethyl-N-(2-sulfamoyl-1,3-benzothiazol-5-yl)propanethioamide
CID 88725682
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]-1-(2-methylphenyl)ethanone
CID 135077191
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
ethyl 2-amino-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfonylamino]butanoate
CID 68524132
1-(2-sulfamoyl-1,3-benzothiazol-5-yl)cyclohexane-1-carboxylic acid
CID 70470525
(2-sulfamoyl-1,3-benzothiazol-5-yl) 4-methylbenzoate
CID 54155936
(2-sulfamoyl-1,3-benzothiazol-5-yl) 2-phenylacetate
CID 54487226
5-chloro-1,3-benzothiazole-2-sulfinate
CID 174695193
(2-sulfamoyl-1,3-benzothiazol-5-yl) (E)-3-phenylprop-2-enoate
CID 70231665
1-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfonyl]propyl]pyrrolidin-2-one
CID 47075888

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 5-chloro-1,3-benzothiazole-2-sulfonamide (CID 71551260) is 5-chloro-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 5-chloro-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-1,3-benzothiazole-2-sulfonamide?
The InChIKey is DZIMJDKDCOZLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12).
What are the key properties of 5-chloro-1,3-benzothiazole-2-sulfonamide?
5-chloro-1,3-benzothiazole-2-sulfonamide has a molecular weight of 248.72 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 71551260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).