(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

C19H24FNO4S2 — CID 135054898

IUPAC(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24FNO4S2/c1-19(2,3)26(22)21-17(14-10-12-15(25-4)13-11-14)18(20)27(23,24)16-8-6-5-7-9-16/h5-13,17-18,21H,1-4H3/t17-,18-,26+/m0/s1
InChIKeyCLIXXSKZMFAHRV-QSAFDGGLSA-N
MW413.54 g/mol
LogP3.56
Rot. Bonds7

About (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135054898) has the molecular formula C19H24FNO4S2 and a molecular weight of 413.54 g/mol. Its IUPAC name is (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID135054898
Molecular FormulaC19H24FNO4S2
Molecular Weight413.54 g/mol
Exact Mass413.11
IUPAC Name(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24FNO4S2/c1-19(2,3)26(22)21-17(14-10-12-15(25-4)13-11-14)18(20)27(23,24)16-8-6-5-7-9-16/h5-13,17-18,21H,1-4H3/t17-,18-,26+/m0/s1
InChIKeyCLIXXSKZMFAHRV-QSAFDGGLSA-N
XLogP3.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 135054898) is (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is COc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@@H](F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is CLIXXSKZMFAHRV-QSAFDGGLSA-N. The full InChI is InChI=1S/C19H24FNO4S2/c1-19(2,3)26(22)21-17(14-10-12-15(25-4)13-11-14)18(20)27(23,24)16-8-6-5-7-9-16/h5-13,17-18,21H,1-4H3/t17-,18-,26+/m0/s1.
What are the key properties of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 413.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135054898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).