5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide

C8H11ClN2O2S2 — CID 62380456

IUPAC5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O2S2/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6/h1-2,6,10-11H,3-5H2
InChIKeyOGBQOVSXTQHIOC-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.04
Rot. Bonds3

About 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide

5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide (PubChem CID 62380456) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.78 g/mol. Its IUPAC name is 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
PubChem CID62380456
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.78 g/mol
Exact Mass266.00
IUPAC Name5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O2S2/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6/h1-2,6,10-11H,3-5H2
InChIKeyOGBQOVSXTQHIOC-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide (CID 62380456) is 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide is O=S(=O)(NC1CCNC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The InChIKey is OGBQOVSXTQHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c9-7-1-2-8(14-7)15(12,13)11-6-3-4-10-5-6/h1-2,6,10-11H,3-5H2.
What are the key properties of 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide has a molecular weight of 266.78 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 62380456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).