3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide

C10H9ClN2O2S — CID 3074549

IUPAC3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide
SMILESO=S1(=O)CC(n2c(Cl)nc3ccccc32)C1
InChIInChI=1S/C10H9ClN2O2S/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-16(14,15)6-7/h1-4,7H,5-6H2
InChIKeyZYXJYPRAZGLUNP-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.66
Rot. Bonds1

About 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide

3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide (PubChem CID 3074549) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide
PubChem CID3074549
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide
SMILESO=S1(=O)CC(n2c(Cl)nc3ccccc32)C1
InChIInChI=1S/C10H9ClN2O2S/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-16(14,15)6-7/h1-4,7H,5-6H2
InChIKeyZYXJYPRAZGLUNP-UHFFFAOYSA-N
XLogP1.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide?
The IUPAC name of 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide (CID 3074549) is 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide?
The canonical SMILES for 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide is O=S1(=O)CC(n2c(Cl)nc3ccccc32)C1.
What is the InChIKey of 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide?
The InChIKey is ZYXJYPRAZGLUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-16(14,15)6-7/h1-4,7H,5-6H2.
What are the key properties of 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide?
3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide has a molecular weight of 256.71 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide is sourced from PubChem (CID 3074549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).