3-chloro-N-(thiolan-3-yl)benzamide

C11H12ClNOS — CID 2805655

IUPAC3-chloro-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeySMUALVGEAPIQET-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.58
Rot. Bonds2

About 3-chloro-N-(thiolan-3-yl)benzamide

3-chloro-N-(thiolan-3-yl)benzamide (PubChem CID 2805655) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-chloro-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(thiolan-3-yl)benzamide
PubChem CID2805655
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name3-chloro-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14)
InChIKeySMUALVGEAPIQET-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(thiolan-3-yl)benzamide (CID 2805655) is 3-chloro-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(thiolan-3-yl)benzamide is O=C(NC1CCSC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(thiolan-3-yl)benzamide?
The InChIKey is SMUALVGEAPIQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c12-9-3-1-2-8(6-9)11(14)13-10-4-5-15-7-10/h1-3,6,10H,4-5,7H2,(H,13,14).
What are the key properties of 3-chloro-N-(thiolan-3-yl)benzamide?
3-chloro-N-(thiolan-3-yl)benzamide has a molecular weight of 241.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 2805655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).