1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide

C11H16ClN3O2S — CID 84594040

IUPAC1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(c2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2S/c1-2-14-18(16,17)9-4-6-15(8-9)11-3-5-13-7-10(11)12/h3,5,7,9,14H,2,4,6,8H2,1H3
InChIKeyCILPCJXCBFGMIX-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.25
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide

1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide (PubChem CID 84594040) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide
PubChem CID84594040
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(c2ccncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2S/c1-2-14-18(16,17)9-4-6-15(8-9)11-3-5-13-7-10(11)12/h3,5,7,9,14H,2,4,6,8H2,1H3
InChIKeyCILPCJXCBFGMIX-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide (CID 84594040) is 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(c2ccncc2Cl)C1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is CILPCJXCBFGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-2-14-18(16,17)9-4-6-15(8-9)11-3-5-13-7-10(11)12/h3,5,7,9,14H,2,4,6,8H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide?
1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 84594040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).