(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide

C22H24FNO3S2 — CID 135055394

IUPAC(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc2ccccc2c1)[C@@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24FNO3S2/c1-22(2,3)28(25)24-20(18-14-13-16-9-7-8-10-17(16)15-18)21(23)29(26,27)19-11-5-4-6-12-19/h4-15,20-21,24H,1-3H3/t20-,21-,28+/m0/s1
InChIKeyTZHHNPBAVSOXPV-YHGPEZAFSA-N
MW433.57 g/mol
LogP4.70
Rot. Bonds6

About (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135055394) has the molecular formula C22H24FNO3S2 and a molecular weight of 433.57 g/mol. Its IUPAC name is (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
PubChem CID135055394
Molecular FormulaC22H24FNO3S2
Molecular Weight433.57 g/mol
Exact Mass433.12
IUPAC Name(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](c1ccc2ccccc2c1)[C@@H](F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H24FNO3S2/c1-22(2,3)28(25)24-20(18-14-13-16-9-7-8-10-17(16)15-18)21(23)29(26,27)19-11-5-4-6-12-19/h4-15,20-21,24H,1-3H3/t20-,21-,28+/m0/s1
InChIKeyTZHHNPBAVSOXPV-YHGPEZAFSA-N
XLogP4.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 151330065
2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 154591461
(R)-N-[(2R,3S)-1-(benzenesulfonyl)-3-(dibenzylamino)-1-fluoro-4-phenylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056179
(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 15472052
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135006991
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
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
N-[(2-acetyl-1,3-dithiolan-2-yl)-deuterio-naphthalen-2-ylmethyl]-2-methylpropane-2-sulfinamide
CID 58420638
(R)-2-methyl-N-naphthalen-2-ylpropane-2-sulfinamide
CID 57415446
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 25170437

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide (CID 135055394) is (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](c1ccc2ccccc2c1)[C@@H](F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is TZHHNPBAVSOXPV-YHGPEZAFSA-N. The full InChI is InChI=1S/C22H24FNO3S2/c1-22(2,3)28(25)24-20(18-14-13-16-9-7-8-10-17(16)15-18)21(23)29(26,27)19-11-5-4-6-12-19/h4-15,20-21,24H,1-3H3/t20-,21-,28+/m0/s1.
What are the key properties of (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 433.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,2S)-2-(benzenesulfonyl)-2-fluoro-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135055394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).