5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride

C8H10ClNO4S3 — CID 54593467

IUPAC5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C8H10ClNO4S3/c9-16(11,12)7-3-4-8(15-7)17(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2
InChIKeyCHQJUABZGOEZME-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.46
Rot. Bonds3

About 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride

5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride (PubChem CID 54593467) has the molecular formula C8H10ClNO4S3 and a molecular weight of 315.83 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride
PubChem CID54593467
Molecular FormulaC8H10ClNO4S3
Molecular Weight315.83 g/mol
Exact Mass314.95
IUPAC Name5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C8H10ClNO4S3/c9-16(11,12)7-3-4-8(15-7)17(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2
InChIKeyCHQJUABZGOEZME-UHFFFAOYSA-N
XLogP1.46
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride?
The IUPAC name of 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride (CID 54593467) is 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride?
The InChIKey is CHQJUABZGOEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S3/c9-16(11,12)7-3-4-8(15-7)17(13,14)10-5-1-2-6-10/h3-4H,1-2,5-6H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride?
5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride has a molecular weight of 315.83 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 54593467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).