(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine

C21H19F2NO3S — CID 134843368

IUPAC(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccc4ccccc4c3)OC[C@H]2C(F)F)cc1
InChIInChI=1S/C21H19F2NO3S/c1-14-6-10-18(11-7-14)28(25,26)24-19(20(22)23)13-27-21(24)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-21H,13H2,1H3/t19-,21+/m0/s1
InChIKeyBJKYUWYQVAIKHA-PZJWPPBQSA-N
MW403.45 g/mol
LogP4.50
Rot. Bonds4

About (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine

(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine (PubChem CID 134843368) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine
PubChem CID134843368
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC Name(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](c3ccc4ccccc4c3)OC[C@H]2C(F)F)cc1
InChIInChI=1S/C21H19F2NO3S/c1-14-6-10-18(11-7-14)28(25,26)24-19(20(22)23)13-27-21(24)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-21H,13H2,1H3/t19-,21+/m0/s1
InChIKeyBJKYUWYQVAIKHA-PZJWPPBQSA-N
XLogP4.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-4-(trifluoromethyl)-1,3-oxazolidine
CID 101546851
(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
CID 134954820
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1R)-1-phenylprop-2-enyl]benzenesulfonamide
CID 11059376
(2R,5S)-1-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethoxymethyl)-2,5-dihydropyrrole
CID 11825933
(4R,5S)-3-(4-methylphenyl)sulfonyl-4,5-diphenyl-1,3-oxazolidine
CID 21601342
(2S,5S)-1-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethoxymethyl)-2,5-dihydropyrrole
CID 101056778
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide
CID 101056784
3-(Benzenesulfonyl)-2,4-diphenyl-1,3-oxazolidine
CID 102469430
3-(Benzenesulfonyl)-4-(2-methylphenyl)-2-phenyl-1,3-oxazolidine
CID 102469432
3-(Benzenesulfonyl)-4-(3-methylphenyl)-2-phenyl-1,3-oxazolidine
CID 102469433
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 122398406

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine?
The IUPAC name of (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine (CID 134843368) is (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine?
The canonical SMILES for (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine is Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc4ccccc4c3)OC[C@H]2C(F)F)cc1.
What is the InChIKey of (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine?
The InChIKey is BJKYUWYQVAIKHA-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-14-6-10-18(11-7-14)28(25,26)24-19(20(22)23)13-27-21(24)17-9-8-15-4-2-3-5-16(15)12-17/h2-12,19-21H,13H2,1H3/t19-,21+/m0/s1.
What are the key properties of (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine?
(2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine has a molecular weight of 403.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(difluoromethyl)-3-(4-methylphenyl)sulfonyl-2-naphthalen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 134843368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).