(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C11H13ClF4N2OS — CID 176945435

IUPAC(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1cnc(Cl)c(F)c1)C(F)(F)F
InChIInChI=1S/C11H13ClF4N2OS/c1-10(2,3)20(19)18-8(11(14,15)16)6-4-7(13)9(12)17-5-6/h4-5,8,18H,1-3H3/t8-,20+/m0/s1
InChIKeyNSZDTALJZUUXJK-FFVOIRBGSA-N
MW332.75 g/mol
LogP3.53
Rot. Bonds3

About (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 176945435) has the molecular formula C11H13ClF4N2OS and a molecular weight of 332.75 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID176945435
Molecular FormulaC11H13ClF4N2OS
Molecular Weight332.75 g/mol
Exact Mass332.04
IUPAC Name(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1cnc(Cl)c(F)c1)C(F)(F)F
InChIInChI=1S/C11H13ClF4N2OS/c1-10(2,3)20(19)18-8(11(14,15)16)6-4-7(13)9(12)17-5-6/h4-5,8,18H,1-3H3/t8-,20+/m0/s1
InChIKeyNSZDTALJZUUXJK-FFVOIRBGSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 176945435) is (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1cnc(Cl)c(F)c1)C(F)(F)F.
What is the InChIKey of (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NSZDTALJZUUXJK-FFVOIRBGSA-N. The full InChI is InChI=1S/C11H13ClF4N2OS/c1-10(2,3)20(19)18-8(11(14,15)16)6-4-7(13)9(12)17-5-6/h4-5,8,18H,1-3H3/t8-,20+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 332.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176945435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).