(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride

C4H3Cl2NO2S2 — CID 165438923

IUPAC(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ncc(Cl)s1
InChIInChI=1S/C4H3Cl2NO2S2/c5-3-1-7-4(10-3)2-11(6,8)9/h1H,2H2
InChIKeyQWIKFYRMKYOYTI-UHFFFAOYSA-N
MW232.11 g/mol
LogP1.87
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride

(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride (PubChem CID 165438923) has the molecular formula C4H3Cl2NO2S2 and a molecular weight of 232.11 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride
PubChem CID165438923
Molecular FormulaC4H3Cl2NO2S2
Molecular Weight232.11 g/mol
Exact Mass230.90
IUPAC Name(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ncc(Cl)s1
InChIInChI=1S/C4H3Cl2NO2S2/c5-3-1-7-4(10-3)2-11(6,8)9/h1H,2H2
InChIKeyQWIKFYRMKYOYTI-UHFFFAOYSA-N
XLogP1.87
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride (CID 165438923) is (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride?
The InChIKey is QWIKFYRMKYOYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NO2S2/c5-3-1-7-4(10-3)2-11(6,8)9/h1H,2H2.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride?
(5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride has a molecular weight of 232.11 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 165438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).