2-chloro-1,3-benzothiazole-4-sulfonyl chloride

C7H3Cl2NO2S2 — CID 54485520

IUPAC2-chloro-1,3-benzothiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2sc(Cl)nc12
InChIInChI=1S/C7H3Cl2NO2S2/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H
InChIKeyXSABGBKSSJWSNB-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.88
Rot. Bonds1

About 2-chloro-1,3-benzothiazole-4-sulfonyl chloride

2-chloro-1,3-benzothiazole-4-sulfonyl chloride (PubChem CID 54485520) has the molecular formula C7H3Cl2NO2S2 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-chloro-1,3-benzothiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-1,3-benzothiazole-4-sulfonyl chloride
PubChem CID54485520
Molecular FormulaC7H3Cl2NO2S2
Molecular Weight268.15 g/mol
Exact Mass266.90
IUPAC Name2-chloro-1,3-benzothiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2sc(Cl)nc12
InChIInChI=1S/C7H3Cl2NO2S2/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H
InChIKeyXSABGBKSSJWSNB-UHFFFAOYSA-N
XLogP2.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-benzothiazole-4-sulfonyl chloride?
The IUPAC name of 2-chloro-1,3-benzothiazole-4-sulfonyl chloride (CID 54485520) is 2-chloro-1,3-benzothiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-chloro-1,3-benzothiazole-4-sulfonyl chloride?
The canonical SMILES for 2-chloro-1,3-benzothiazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cccc2sc(Cl)nc12.
What is the InChIKey of 2-chloro-1,3-benzothiazole-4-sulfonyl chloride?
The InChIKey is XSABGBKSSJWSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO2S2/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H.
What are the key properties of 2-chloro-1,3-benzothiazole-4-sulfonyl chloride?
2-chloro-1,3-benzothiazole-4-sulfonyl chloride has a molecular weight of 268.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-benzothiazole-4-sulfonyl chloride is sourced from PubChem (CID 54485520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).