4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride

C9H7ClN2O2S2 — CID 87307661

IUPAC4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nsnc1Cc1ccccc1
InChIInChI=1S/C9H7ClN2O2S2/c10-16(13,14)9-8(11-15-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySDCQZZCATPMIJE-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.06
Rot. Bonds3

About 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride

4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride (PubChem CID 87307661) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride
PubChem CID87307661
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nsnc1Cc1ccccc1
InChIInChI=1S/C9H7ClN2O2S2/c10-16(13,14)9-8(11-15-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeySDCQZZCATPMIJE-UHFFFAOYSA-N
XLogP2.06
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride?
The IUPAC name of 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride (CID 87307661) is 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride.
What is the SMILES notation for 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride?
The canonical SMILES for 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride is O=S(=O)(Cl)c1nsnc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride?
The InChIKey is SDCQZZCATPMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c10-16(13,14)9-8(11-15-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride?
4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride has a molecular weight of 274.75 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,2,5-thiadiazole-3-sulfonyl chloride is sourced from PubChem (CID 87307661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).