3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide

C8H11ClN2O2S3 — CID 88946883

IUPAC3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(SN2CCCC2)cc1Cl
InChIInChI=1S/C8H11ClN2O2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2,(H2,10,12,13)
InChIKeyISKZPRFMFAHAOG-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.15
Rot. Bonds3

About 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide

3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide (PubChem CID 88946883) has the molecular formula C8H11ClN2O2S3 and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide
PubChem CID88946883
Molecular FormulaC8H11ClN2O2S3
Molecular Weight298.84 g/mol
Exact Mass297.97
IUPAC Name3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(SN2CCCC2)cc1Cl
InChIInChI=1S/C8H11ClN2O2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2,(H2,10,12,13)
InChIKeyISKZPRFMFAHAOG-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-sulfonamide?
The IUPAC name of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide (CID 88946883) is 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide?
The canonical SMILES for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide is NS(=O)(=O)c1sc(SN2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide?
The InChIKey is ISKZPRFMFAHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S3/c9-6-5-7(14-8(6)16(10,12)13)15-11-3-1-2-4-11/h5H,1-4H2,(H2,10,12,13).
What are the key properties of 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide?
3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide has a molecular weight of 298.84 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyrrolidin-1-ylsulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 88946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).