(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide

C10H10ClF3N2O4S — CID 99578421

IUPAC(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NS(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C10H10ClF3N2O4S/c1-6(20-5-10(12,13)14)9(17)16-21(18,19)8-2-7(11)3-15-4-8/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m0/s1
InChIKeyUYQCDPYKCPLFQO-LURJTMIESA-N
MW346.71 g/mol
LogP1.51
Rot. Bonds5

About (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 99578421) has the molecular formula C10H10ClF3N2O4S and a molecular weight of 346.71 g/mol. Its IUPAC name is (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID99578421
Molecular FormulaC10H10ClF3N2O4S
Molecular Weight346.71 g/mol
Exact Mass346.00
IUPAC Name(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NS(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C10H10ClF3N2O4S/c1-6(20-5-10(12,13)14)9(17)16-21(18,19)8-2-7(11)3-15-4-8/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m0/s1
InChIKeyUYQCDPYKCPLFQO-LURJTMIESA-N
XLogP1.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 99578421) is (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NS(=O)(=O)c1cncc(Cl)c1.
What is the InChIKey of (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UYQCDPYKCPLFQO-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClF3N2O4S/c1-6(20-5-10(12,13)14)9(17)16-21(18,19)8-2-7(11)3-15-4-8/h2-4,6H,5H2,1H3,(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 346.71 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 99578421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).