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

C11H13Cl2F3N2OS — CID 155338827

IUPAC(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](c1ncc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H13Cl2F3N2OS/c1-10(2,3)20(19)18-9(11(14,15)16)8-7(13)4-6(12)5-17-8/h4-5,9,18H,1-3H3/t9-,20+/m1/s1
InChIKeyJFINPPOEUKYXQY-YBYGRFCBSA-N
MW349.21 g/mol
LogP4.04
Rot. Bonds3

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

(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 155338827) has the molecular formula C11H13Cl2F3N2OS and a molecular weight of 349.21 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID155338827
Molecular FormulaC11H13Cl2F3N2OS
Molecular Weight349.21 g/mol
Exact Mass348.01
IUPAC Name(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](c1ncc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H13Cl2F3N2OS/c1-10(2,3)20(19)18-9(11(14,15)16)8-7(13)4-6(12)5-17-8/h4-5,9,18H,1-3H3/t9-,20+/m1/s1
InChIKeyJFINPPOEUKYXQY-YBYGRFCBSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 155338827) is (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H](c1ncc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JFINPPOEUKYXQY-YBYGRFCBSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2OS/c1-10(2,3)20(19)18-9(11(14,15)16)8-7(13)4-6(12)5-17-8/h4-5,9,18H,1-3H3/t9-,20+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 349.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155338827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).