(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

C20H26FNO3S2 — CID 25170437

IUPAC(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc([C@@](C)(N[S@](=O)C(C)(C)C)[C@H](F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26FNO3S2/c1-15-11-13-16(14-12-15)20(5,22-26(23)19(2,3)4)18(21)27(24,25)17-9-7-6-8-10-17/h6-14,18,22H,1-5H3/t18-,20-,26-/m1/s1
InChIKeyRNSMTVNBPUCWHO-YMJPAYASSA-N
MW411.56 g/mol
LogP4.03
Rot. Bonds6

About (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 25170437) has the molecular formula C20H26FNO3S2 and a molecular weight of 411.56 g/mol. Its IUPAC name is (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID25170437
Molecular FormulaC20H26FNO3S2
Molecular Weight411.56 g/mol
Exact Mass411.13
IUPAC Name(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCc1ccc([C@@](C)(N[S@](=O)C(C)(C)C)[C@H](F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26FNO3S2/c1-15-11-13-16(14-12-15)20(5,22-26(23)19(2,3)4)18(21)27(24,25)17-9-7-6-8-10-17/h6-14,18,22H,1-5H3/t18-,20-,26-/m1/s1
InChIKeyRNSMTVNBPUCWHO-YMJPAYASSA-N
XLogP4.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 102034089
(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-(furan-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056200
2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
CID 15370362
(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135055394
1,2,2,3,3,3-hexafluoropropylsulfonylbenzene
CID 175031163
(2S,3R)-3-[[(R)-tert-butylsulfinyl]amino]-2-fluoro-3-(2-fluorophenyl)butanoic acid
CID 121334914
N-[(E,3S,5S)-5-[[(S)-tert-butylsulfinyl]amino]-1,5,6-triphenylhex-1-en-3-yl]-4-methylbenzenesulfonamide
CID 11664388
N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
CID 123783017
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
CID 11247321
2-(4-methylphenyl)propan-2-yl trifluoromethanesulfonate
CID 101386721
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
(R)-N-[(2R,3S)-1-(benzenesulfonyl)-3-(dibenzylamino)-1-fluoro-4-phenylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056179

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide (CID 25170437) is (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide is Cc1ccc([C@@](C)(N[S@](=O)C(C)(C)C)[C@H](F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RNSMTVNBPUCWHO-YMJPAYASSA-N. The full InChI is InChI=1S/C20H26FNO3S2/c1-15-11-13-16(14-12-15)20(5,22-26(23)19(2,3)4)18(21)27(24,25)17-9-7-6-8-10-17/h6-14,18,22H,1-5H3/t18-,20-,26-/m1/s1.
What are the key properties of (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 411.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 25170437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).