5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C9H11ClN2O3S2 — CID 171546135

IUPAC5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C9H11ClN2O3S2/c10-7-5-6(9(16-7)17(11,14)15)8(13)12-3-1-2-4-12/h5H,1-4H2,(H2,11,14,15)
InChIKeyQARIOJNVOWKNNE-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.28
Rot. Bonds2

About 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 171546135) has the molecular formula C9H11ClN2O3S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID171546135
Molecular FormulaC9H11ClN2O3S2
Molecular Weight294.79 g/mol
Exact Mass293.99
IUPAC Name5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C9H11ClN2O3S2/c10-7-5-6(9(16-7)17(11,14)15)8(13)12-3-1-2-4-12/h5H,1-4H2,(H2,11,14,15)
InChIKeyQARIOJNVOWKNNE-UHFFFAOYSA-N
XLogP1.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 171546135) is 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is NS(=O)(=O)c1sc(Cl)cc1C(=O)N1CCCC1.
What is the InChIKey of 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is QARIOJNVOWKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S2/c10-7-5-6(9(16-7)17(11,14)15)8(13)12-3-1-2-4-12/h5H,1-4H2,(H2,11,14,15).
What are the key properties of 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 294.79 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 171546135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).