3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride

C8H9Cl2NO2S3 — CID 88946986

IUPAC3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sc(SN2CCCC2)cc1Cl
InChIInChI=1S/C8H9Cl2NO2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2
InChIKeyFTPRMXJOALOYMU-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.43
Rot. Bonds3

About 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride

3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride (PubChem CID 88946986) has the molecular formula C8H9Cl2NO2S3 and a molecular weight of 318.27 g/mol. Its IUPAC name is 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride
PubChem CID88946986
Molecular FormulaC8H9Cl2NO2S3
Molecular Weight318.27 g/mol
Exact Mass316.92
IUPAC Name3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sc(SN2CCCC2)cc1Cl
InChIInChI=1S/C8H9Cl2NO2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2
InChIKeyFTPRMXJOALOYMU-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride?
The IUPAC name of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride (CID 88946986) is 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1sc(SN2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride?
The InChIKey is FTPRMXJOALOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2.
What are the key properties of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride?
3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride has a molecular weight of 318.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 88946986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).