(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide

C19H24FNO3S2 — CID 135054892

IUPAC(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(c1ccccc1)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24FNO3S2/c1-18(2,3)25(22)21-19(4,15-11-7-5-8-12-15)17(20)26(23,24)16-13-9-6-10-14-16/h5-14,17,21H,1-4H3/t17?,19-,25+/m0/s1
InChIKeyGOJNZLFGJOIMJC-DNGAFLCXSA-N
MW397.54 g/mol
LogP3.72
Rot. Bonds6

About (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135054892) has the molecular formula C19H24FNO3S2 and a molecular weight of 397.54 g/mol. Its IUPAC name is (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID135054892
Molecular FormulaC19H24FNO3S2
Molecular Weight397.54 g/mol
Exact Mass397.12
IUPAC Name(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@](C)(c1ccccc1)C(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24FNO3S2/c1-18(2,3)25(22)21-19(4,15-11-7-5-8-12-15)17(20)26(23,24)16-13-9-6-10-14-16/h5-14,17,21H,1-4H3/t17?,19-,25+/m0/s1
InChIKeyGOJNZLFGJOIMJC-DNGAFLCXSA-N
XLogP3.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide (CID 135054892) is (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@](C)(c1ccccc1)C(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GOJNZLFGJOIMJC-DNGAFLCXSA-N. The full InChI is InChI=1S/C19H24FNO3S2/c1-18(2,3)25(22)21-19(4,15-11-7-5-8-12-15)17(20)26(23,24)16-13-9-6-10-14-16/h5-14,17,21H,1-4H3/t17?,19-,25+/m0/s1.
What are the key properties of (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 397.54 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-phenylpropan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135054892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).